FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Parise, JB Locke, DR Tulk, CA Swainson, I Cranswick, L AF Parise, John B. Locke, Darren R. Tulk, Christopher A. Swainson, Ian Cranswick, Lachlan TI The effect of pressure on the Morin transition in hematite (alpha-Fe2O3) SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 8th International Conference (ICNS 2005) CY NOV 27-DEC 02, 2005 CL Sydney, AUSTRALIA SP Australian Govt, Dept Educ, Sci & Training, Australian Nucl Sci & Technol Org, ISIS, Cooperat Res Ctr Polymers, INVAP S E, Inst Laue Langevin DE high pressure; Morin transition; neutron powder diffraction; Paris-Edinburgh cell; magnetism; hematite; Fe2O3 ID PARIS-EDINBURGH CELL; NEUTRON-DIFFRACTION; FERROMAGNETISM AB Neutron powder scattering studies of hematite to a pressure (P) of 6.2 GPa in a Paris-Edinburgh (PE) cell with Fluorinert((R)) as a P-transmitting medium, reveal different behavior to previous investigations that used solid pressure-transmitting media. The P equivalent of the Morin transition is closely approached at room temperature at the highest P. In the present study the spin reorientation, from perpendicular to parallel to the rhombohedral [111] direction, begins at some 3GPa higher and goes 25 degrees beyond what was previously observed at high P. (c) 2006 Elsevier B.V. All rights reserved. C1 SUNY Stony Brook, Dept Geosci, Stony Brook, NY 11794 USA. Oak Ridge Natl Lab, Spallat Neutron Source & Chem Div, Oak Ridge, TN USA. NPMR, Chalk River Labs, NRC, Chalk River, ON K0J 1J0, Canada. RP Parise, JB (reprint author), SUNY Stony Brook, Dept Geosci, Stony Brook, NY 11794 USA. EM John.Parise@sunysb.edu RI Tulk, Chris/R-6088-2016 OI Tulk, Chris/0000-0003-3400-3878 NR 11 TC 12 Z9 12 U1 0 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD NOV 15 PY 2006 VL 385 SI SI BP 391 EP 393 DI 10.1016/j.physb.2006.05.081 PN 1 PG 3 WC Physics, Condensed Matter SC Physics GA 120PF UT WOS:000243096400116 ER PT J AU Stone, MB Tian, W Granroth, GE Lumsden, MD Chung, JH Mandrus, DG Nagler, SE AF Stone, Matthew B. Tian, Wei Granroth, Garrett E. Lumsden, Mark D. Chung, J. -H. Mandrus, David G. Nagler, Stephen E. TI Spin dynamics of the low-dimensional magnet (CH3)(2)NH2CuCl3 SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 8th International Conference (ICNS 2005) CY NOV 27-DEC 02, 2005 CL Sydney, AUSTRALIA SP Australian Govt, Dept Educ, Sci & Training, Australian Nucl Sci & Technol Org, ISIS, Cooperat Res Ctr Polymers, INVAP S E, Inst Laue Langevin DE antiferromagnet; S=1/2; low dimensional; organo-metallic ID TETRAMETHYLAMMONIUM TRICHLORONICKELATE II; ALTERNATING HEISENBERG CHAIN; EXCITATION SPECTRUM; LADDERS; SYSTEMS AB Dimethylammonium copper (II) chloride (also known as DMACuCl(3) or MCCL) is a low-dimensional S = (1)/(2) quantum spin system proposed to be an alternating ferro-antiferromagnetic chain with similar magnitude ferromagnetic (FM) and antiferromagnetic (AFM) exchange interactions. Subsequently, it was shown that the existing bulk measurements could be adequately modeled by considering DMACuCl(3) as independent AFM and FM dimer spin pairs. We present here new inelastic neutron scattering measurements of the spin excitations in single crystals of DMACuCl(3). These results show significant quasi-one-dimensional coupling, however the magnetic excitations do not propagate along the expected direction. We observe a band of excitations with a gap of Delta = 0.95 MeV and a bandwidth of 0.82 MeV. (c) 2006 Elsevier B.V. All rights reserved. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. RP Stone, MB (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM stonemb@ornl.gov RI Granroth, Garrett/G-3576-2012; Lumsden, Mark/F-5366-2012; Nagler, Stephen/B-9403-2010; Nagler, Stephen/E-4908-2010; Stone, Matthew/G-3275-2011; Tian, Wei/C-8604-2013; Mandrus, David/H-3090-2014 OI Granroth, Garrett/0000-0002-7583-8778; Lumsden, Mark/0000-0002-5472-9660; Nagler, Stephen/0000-0002-7234-2339; Stone, Matthew/0000-0001-7884-9715; Tian, Wei/0000-0001-7735-3187; NR 16 TC 6 Z9 6 U1 0 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD NOV 15 PY 2006 VL 385 SI SI BP 438 EP 440 DI 10.1016/j.physb.2006.05.145 PN 1 PG 3 WC Physics, Condensed Matter SC Physics GA 120PF UT WOS:000243096400130 ER PT J AU Loong, CK Kolesnikov, AI Koyanaka, H Takeuchi, K Fang, C AF Loong, C. -K. Kolesnikov, A. I. Koyanaka, H. Takeuchi, K. Fang, C. TI Extraction of metals from natural waters: A neutron characterization of the nanostructured manganese-oxide-based adsorbents SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 8th International Conference (ICNS 2005) CY NOV 27-DEC 02, 2005 CL Sydney, AUSTRALIA SP Australian Govt, Dept Educ, Sci & Training, Australian Nucl Sci & Technol Org, ISIS, Cooperat Res Ctr Polymers, INVAP S E, Inst Laue Langevin DE manganese oxide adsorbents; gold recovery; lithium extraction; neutron scattering AB A methodology has been developed for extraction of metals, i.e., lithium, gold and inorganic arsenic, from natural waters using nanostructured manganese-oxide-based adsorbents. The methods are extremely efficient, highly selective, recyclable, and environmentally benign. A key process to functionalize the Li-, Au- and As-adsorption relies on the protonation of nanoparticles of Mn-spinel, Mn2O3- and Bi-doped Mn2O3 adsorbents, respectively, so that proper exchange or redox reactions with the targeted metal ions or complexes become possible in spite of the very dilute contents in aqueous solutions. We have applied small-to-wide angle neutron diffraction and inelastic scattering to determine the fractal-like morphology of the nanocomposites, the mixed crystal phases therein and the atomic dynamics. In the case of the pure and hydrogenated Mn-spinel, the neutron data were compared with first-principles calculations of the phonon density of states and the local vibrations modes of adsorbed hydrogen atoms. (c) 2006 Elsevier B.V. All rights reserved. C1 Argonne Natl Lab, Argonne, IL 60439 USA. Kyoto Univ, Kyoto, Japan. Tokyo Univ Sci, Oshamambe, Hokkaido 0493514, Japan. Univ Uppsala, S-75105 Uppsala, Sweden. RP Loong, CK (reprint author), Argonne Natl Lab, Argonne, IL 60439 USA. EM ckloong@anl.gov RI Fang, Chang Ming/E-9213-2013; Kolesnikov, Alexander/I-9015-2012 OI Kolesnikov, Alexander/0000-0003-1940-4649 NR 4 TC 4 Z9 4 U1 1 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD NOV 15 PY 2006 VL 385 SI SI BP 493 EP 495 DI 10.1016/j.physb.2006.05.227 PN 1 PG 3 WC Physics, Condensed Matter SC Physics GA 120PF UT WOS:000243096400144 ER PT J AU Benson, ML Liaw, PK Saleh, TA Choo, H Brown, DW Daymond, MR Huang, EW Wang, XL Stoica, AD Buchanan, RA Klarstrom, DL AF Benson, M. L. Liaw, P. K. Saleh, T. A. Choo, H. Brown, D. W. Daymond, M. R. Huang, E. -W. Wang, X. -L. Stoica, A. D. Buchanan, R. A. Klarstrom, D. L. TI Deformation-induced phase development in a cobalt-based superalloy during monotonic and cyclic deformation SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 8th International Conference (ICNS 2005) CY NOV 27-DEC 02, 2005 CL Sydney, AUSTRALIA SP Australian Govt, Dept Educ, Sci & Training, Australian Nucl Sci & Technol Org, ISIS, Cooperat Res Ctr Polymers, INVAP S E, Inst Laue Langevin DE stress-induced phase transformation; in-situ neutron diffraction; cobalt-based superalloy ID TEMPERATURE EVOLUTION; ULTIMET(R) ALLOY; FATIGUE; BEHAVIOR AB ULTIMET (R) alloy is a metastable face-centered-cubic (FCC) material that undergoes a deformation-induced phase transformation to a hexagonal-close-packed (HCP) phase. In-situ neutron-diffraction measurements were made at room temperature to study the phase transformation during monotonic tensile deformation to a total strain of 16% (890 MPa) and also during strain-controlled cyclic deformation with a total strain range of Delta epsilon = 2.5% up to 500 fatigue cycles. The HCP phase developed with increasing strain during the monotonic-loading experiment, while, during the fatigue deformation, the HCP phase continuously developed with each loading cycle. Transmission electron microscopy was also performed on monotonically loaded specimens in order to complement the neutron-diffraction results. Published by Elsevier B.V. C1 Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. Los Alamos Natl Lab, Los Alamos Neutron Scattering Ctr, Los Alamos, NM 87545 USA. Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. Queens Univ, Dept Mech & Mat Engn, Kingston, ON K7L 3N6, Canada. Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA. Haynes Int Inc, Kokomo, IN 46904 USA. RP Benson, ML (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM mbenson2@utk.edu RI Huang, E-Wen/A-7509-2009; Wang, Xun-Li/C-9636-2010; Choo, Hahn/A-5494-2009; Stoica, Alexandru/K-3614-2013; Huang, E-Wen/A-5717-2015; OI Daymond, Mark/0000-0001-6242-7489; Wang, Xun-Li/0000-0003-4060-8777; Choo, Hahn/0000-0002-8006-8907; Stoica, Alexandru/0000-0001-5118-0134; Huang, E-Wen/0000-0003-4986-0661; Saleh, Tarik/0000-0003-2108-4293 NR 9 TC 5 Z9 5 U1 0 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD NOV 15 PY 2006 VL 385 SI SI BP 523 EP 525 DI 10.1016/j.physb.2006.05.262 PN 1 PG 3 WC Physics, Condensed Matter SC Physics GA 120PF UT WOS:000243096400154 ER PT J AU Jones, JL Hoffman, M Vogel, SC AF Jones, Jacob L. Hoffman, Mark Vogel, Sven C. TI Orientation-dependent lattice strains in lead zirconate titanate under mechanical compression by in situ neutron diffraction SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 8th International Conference (ICNS 2005) CY NOV 27-DEC 02, 2005 CL Sydney, AUSTRALIA SP Australian Govt, Dept Educ, Sci & Training, Australian Nucl Sci & Technol Org, ISIS, Cooperat Res Ctr Polymers, INVAP S E, Inst Laue Langevin DE neutron diffraction; ferroelectric; ceramic; lattice strain ID TEXTURE; DIFFRACTOMETER; CERAMICS; BEHAVIOR; HIPPO AB The electromechanical response of piezoelectric ceramics is a product of the micromechanics of individual grains; a variety of grain orientations with unique responses contribute to the macroscopic bulk ceramic response. In this paper, the lattice strains of tetragonal lead zirconate titanate are measured for many different grain orientations under compressive stress by in situ time-of-flight neutron diffraction. The diffractometer HIPPO at LANSCE is ideal for such orientation-dependent measurements because multiple detector panels measure diffraction vectors oriented throughout the sample orientation space. Parallel to the compression axis at high applied stresses, the 0 0 2 lattice strains are larger than the macroscopic strains. Ceramic intergranular stresses prevent each grain from becoming single-domain and less preferred orientations remain. (c) 2006 Elsevier B.V. All rights reserved. C1 Univ New S Wales, Sch Mat Sci & Engn, Sydney, NSW 2052, Australia. Los Alamos Natl Lab, Los Alamos Neutron Sci Ctr, Los Alamos, NM 87545 USA. RP Jones, JL (reprint author), Univ New S Wales, Sch Mat Sci & Engn, Sydney, NSW 2052, Australia. EM jjones@mse.ufl.edu RI Jones, Jacob/A-8361-2008; Hoffman, Mark/E-5021-2012; Lujan Center, LANL/G-4896-2012; OI Hoffman, Mark/0000-0003-2927-1165; Vogel, Sven C./0000-0003-2049-0361 NR 6 TC 9 Z9 9 U1 0 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD NOV 15 PY 2006 VL 385 SI SI BP 548 EP 551 DI 10.1016/j.physb.2006.05.288 PN 1 PG 4 WC Physics, Condensed Matter SC Physics GA 120PF UT WOS:000243096400162 ER PT J AU Shamoto, S Yamada, N Matsunaga, T Proffen, T AF Shamoto, Shin-ichi Yamada, Noboru Matsunaga, Toshiyuki Proffen, Thomas TI Structural study on optical recording materials Ge2Sb2+xTe5 and GeBi2Te4 SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 8th International Conference (ICNS 2005) CY NOV 27-DEC 02, 2005 CL Sydney, AUSTRALIA SP Australian Govt, Dept Educ, Sci & Training, Australian Nucl Sci & Technol Org, ISIS, Cooperat Res Ctr Polymers, INVAP S E, Inst Laue Langevin DE optical recording material; PDF analysis; neutron powder diffraction; DVD; fast phase transition mechanism AB Crystal structures of optical recording materials Ge2Sb2+xTe5 and GeBi2Te4 have been studied in terms of the fast phase transition mechanism by both real- and reciprocal-space Rietveld analyses of pulsed neutron powder diffraction data. These crystalline phases had large local lattice distortions. In addition, the crystallite size of GeBi2Te4 was very small (about 150 angstrom). These results suggest that the similarity of entropy between crystalline and amorphous phases plays an important role in terms of the fast phase transition mechanism. Published by Elsevier B.V. C1 Japan Atom Energy Res Inst, Neutron Sci Res Ctr, Tokai, Ibaraki 3191195, Japan. Matsushita Elect Ind Co Ltd, Storage Media Syst Dev Ctr, Moriguchi, Osaka 5708501, Japan. Matsushita Technores Inc, Characterizat Technol Grp, Moriguchi, Osaka 5708501, Japan. Los Alamos Natl Lab, Los Alamos Neutron Scattering Ctr, Los Alamos, NM 87545 USA. RP Shamoto, S (reprint author), Japan Atom Energy Res Inst, Neutron Sci Res Ctr, Tokai, Ibaraki 3191195, Japan. EM shamoto@neutrons.tokai.jaeri.go.jp RI Lujan Center, LANL/G-4896-2012; Proffen, Thomas/B-3585-2009 OI Proffen, Thomas/0000-0002-1408-6031 NR 12 TC 4 Z9 4 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD NOV 15 PY 2006 VL 385 SI SI BP 574 EP 577 DI 10.1016/j.physb.2006.05.363 PN 1 PG 4 WC Physics, Condensed Matter SC Physics GA 120PF UT WOS:000243096400170 ER PT J AU Sun, Y An, K Tang, F Hubbard, CR Lu, YL Choo, H Liaw, PK AF Sun, Y. An, K. Tang, F. Hubbard, C. R. Lu, Y. L. Choo, H. Liaw, P. K. TI Changes in lattice-strain profiles around a fatigue crack through the retardation period after overloading SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 8th International Conference (ICNS 2005) CY NOV 27-DEC 02, 2005 CL Sydney, AUSTRALIA SP Australian Govt, Dept Educ, Sci & Training, Australian Nucl Sci & Technol Org, ISIS, Cooperat Res Ctr Polymers, INVAP S E, Inst Laue Langevin DE crack closure; neutron diffraction; fatigue ID GROWTH RATE PROPERTIES; NEUTRON-DIFFRACTION; FRACTURE-TOUGHNESS; LOAD RATIO; BEHAVIOR; TEMPERATURE; TENSILE; STEELS AB An overload was applied during a fatigue-crack-growth experiment, resulting in a temporary decrease in crack-growth rates, i.e., a retardation period. Neutron diffraction was used to investigate the retardation phenomenon by mapping the changes in the lattice-strain profiles around the fatigue-crack tip in a series of compact-tension (CT) specimens, which were fatigued to various stages through the retardation period after the overload. Following the overload, compressive-strain fields were observed along the loading direction close to the crack tip. As the crack grows out of the retardation period, the residual compressive strains decreased. (c) 2006 Elsevier B.V. All rights reserved. C1 Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. RP Liaw, PK (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM liaw@utkux.utcc.utk.edu RI Choo, Hahn/A-5494-2009; An, Ke/G-5226-2011 OI Choo, Hahn/0000-0002-8006-8907; An, Ke/0000-0002-6093-429X NR 10 TC 8 Z9 8 U1 0 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD NOV 15 PY 2006 VL 385 SI SI BP 633 EP 635 DI 10.1016/j.physb.2006.06.088 PN 1 PG 3 WC Physics, Condensed Matter SC Physics GA 120PF UT WOS:000243096400188 ER PT J AU Wang, XL Holden, TM Rennich, GQ Stoica, AD Liaw, PK Choo, H Hubbard, CR AF Wang, X-L. Holden, T. M. Rennich, G. Q. Stoica, A. D. Liaw, P. K. Choo, H. Hubbard, C. R. TI VULCAN - The engineering diffractometer at the SNS SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 8th International Conference (ICNS 2005) CY NOV 27-DEC 02, 2005 CL Sydney, AUSTRALIA SP Australian Govt, Dept Educ, Sci & Training, Australian Nucl Sci & Technol Org, ISIS, Cooperat Res Ctr Polymers, INVAP S E, Inst Laue Langevin DE neutron scattering instrumentation; strain; stress; phase transformation; kinetics ID NEUTRON-DIFFRACTION; STRESSES AB The VULCAN diffractometer at the Spallation Neutron Source (SNS) is designed to tackle a broad range of problems in materials science and engineering, including spatial mapping of the residual stress distribution in components, deformation behavior under static and cyclic loadings, and the kinetics of the phase transformation. The optics design features a focusing neutron guide, wide-angular detector coverage for diffraction, and an area detector for small angle scattering. By employing an interchangeable neutron guide-collimator system, the instrument can be optimally configured for individual experiments with desired resolution. The performance of the instrument was estimated using Monte Carlo simulation. A suite of specialized sample environments is also under construction as an integrated part of the instrument. (c) 2006 Elsevier B.V. All rights reserved. C1 Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. No Stress Technol, Chalk River, ON K0J 1J0, Canada. Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Wang, XL (reprint author), Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. EM wangxl@ornl.gov RI Wang, Xun-Li/C-9636-2010; Choo, Hahn/A-5494-2009; Stoica, Alexandru/K-3614-2013 OI Wang, Xun-Li/0000-0003-4060-8777; Choo, Hahn/0000-0002-8006-8907; Stoica, Alexandru/0000-0001-5118-0134 NR 10 TC 51 Z9 51 U1 0 U2 23 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD NOV 15 PY 2006 VL 385 SI SI BP 673 EP 675 DI 10.1016/j.physb.2006.06.103 PN 1 PG 3 WC Physics, Condensed Matter SC Physics GA 120PF UT WOS:000243096400200 ER PT J AU Guo, L Colby, RH Thiyagarajan, P AF Guo, Liang Colby, Ralph H. Thiyagarajan, P. TI Temperature and hydrophobic alcohol-induced structural changes of Pluronics micelles SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 8th International Conference (ICNS 2005) CY NOV 27-DEC 02, 2005 CL Sydney, AUSTRALIA SP Australian Govt, Dept Educ, Sci & Training, Australian Nucl Sci & Technol Org, ISIS, Cooperat Res Ctr Polymers, INVAP S E, Inst Laue Langevin DE Pluronics; hydrophobic alcohol; SANS ID BLOCK-COPOLYMER MICELLES; TRIBLOCK COPOLYMER; AQUEOUS-SOLUTION; SURFACTANTS; DYNAMICS AB SANS investigations were carried out on the structural changes of micelles of triblock copolymers (Pluronic P84 and P105) in aqueous solutions as functions of temperature and added I-phenylethanol concentration. Modeling of the SANS data reveals that morphological changes from spherical to cylindrical and then to lamellar micelles occur with either increasing temperature or concentration of added DL-1-phenylethanol. The mechanism of these structural changes has been presented. (c) 2006 Published by Elsevier B.V. C1 Argonne Natl Lab, Argonne, IL 60439 USA. Penn State Univ, University Pk, PA 16802 USA. RP Thiyagarajan, P (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM thiyaga@anl.gov NR 13 TC 19 Z9 19 U1 0 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD NOV 15 PY 2006 VL 385 SI SI BP 685 EP 687 DI 10.1016/j.physb.2006.05.291 PN 1 PG 3 WC Physics, Condensed Matter SC Physics GA 120PF UT WOS:000243096400203 ER PT J AU Smith, GS Kuhl, TL Hamilton, WA Mulder, DJ Satija, S AF Smith, G. S. Kuhl, T. L. Hamilton, W. A. Mulder, D. J. Satija, S. TI Structure of confined polymer thin films subject to shear SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 8th International Conference (ICNS 2005) CY NOV 27-DEC 02, 2005 CL Sydney, AUSTRALIA SP Australian Govt, Dept Educ, Sci & Training, Australian Nucl Sci & Technol Org, ISIS, Cooperat Res Ctr Polymers, INVAP S E, Inst Laue Langevin DE neutron reflectometry; polymers; shear; confinement ID BRUSHES; FORCES AB Using neutron reflectivity and the newly developed Shear Confinement Cell (SCC), we have directly quantified the density distribution of opposing neutral polymer brushes confined between parallel plates in good solvent conditions. With an average separation between the plates of approximately 1000 A, our measurements show that the density profile in the overlap region between opposing polymer brushes flattens consistent with predictions from molecular dynamics simulations. A significant increase in density at the anchoring surfaces due to compression of the brush layers is observed. This compression or collapse of the brushes in restricted geometries strongly suggests that high-density brushes do not interpenetrate significantly in good solvent conditions. In addition, for the first time, we have measured the effects of an applied shear stress on the sample. We find that for neutral brushes, shear creates a totally new disentangled structure which surprisingly relaxes only after a time span of a few weeks. (c) 2006 Elsevier B.V. All rights reserved. C1 Oak Ridge Natl Lab, HFIR Ctr Neutron Scattering, Oak Ridge, TN 37831 USA. Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. RP Smith, GS (reprint author), Oak Ridge Natl Lab, HFIR Ctr Neutron Scattering, Oak Ridge, TN 37831 USA. EM smithgs1@ornl.gov RI Smith, Gregory/D-1659-2016 OI Smith, Gregory/0000-0001-5659-1805 NR 11 TC 7 Z9 7 U1 4 U2 13 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD NOV 15 PY 2006 VL 385 SI SI BP 700 EP 702 DI 10.1016/j.physb.2006.05.297 PN 1 PG 3 WC Physics, Condensed Matter SC Physics GA 120PF UT WOS:000243096400207 ER PT J AU Parrot, IM Laux, V Urban, V Haertlein, M Forsyth, VT AF Parrot, Ingrid M. Laux, Valerie Urban, Volker Haertlein, Michael Forsyth, V. Trevor TI X-rays and neutrons for the study of DNA structure, hydration, and transitions SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 8th International Conference on Neutron Scattering CY NOV 27-DEC 02, 2005 CL Sydney, AUSTRALIA DE DNA polymorphism; DNA hydration; DNA structural transitions; X-ray fibre diffraction; neutron fibre diffraction; deuteration ID MOLECULAR CONFIGURATION; DEOXYRIBONUCLEIC ACID; DIFFRACTION; FORM AB X-ray fibre diffraction methods have provided a major contribution to our understanding of a wide variety of biological polymers. However they are less effective for study of location of water and hydrogen atoms in these systems. Here neutron methods can provide vital information. The ability to deuterate biopolymers either throughout the entire molecule or in a more specific way adds a powerful dimension to work aimed at investigating hydration patterns or hydrogen positions and changes that occur during water-driven transitions. The purpose of this paper is to demonstrate how X-ray and neutron fibre diffraction methods can provide powerful probes of polymer structure when used in a genuinely complementary way. Two examples illustrating these issues are described. The first describes an X-ray fibre diffraction study of the A-B structural transition in natural DNA. The second describes preliminary results from the first neutron fibre diffraction study of a selectively labelled DNA polymer carried out on the instrument D19 at ILL using samples prepared in the ILL-EMBL Deuteration Laboratory. (c) 2006 Elsevier B.V. All rights reserved. C1 Inst Laue Langevin, F-38042 Grenoble 9, France. EPSAM, Keele ST5 5BG, Staffs, England. Keele Univ, ISTM Res Inst, Keele ST5 5BG, Staffs, England. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Forsyth, VT (reprint author), Inst Laue Langevin, 6 Rue Jules Horowitz, F-38042 Grenoble 9, France. EM tforsyth@ill.fr RI Forsyth, V. Trevor/A-9129-2010; Urban, Volker/N-5361-2015 OI Forsyth, V. Trevor/0000-0003-0380-3477; Urban, Volker/0000-0002-7962-3408 NR 12 TC 1 Z9 1 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD NOV 15 PY 2006 VL 385-86 BP 848 EP 852 DI 10.1016/j.physb.2006.05.123 PN 2 PG 5 WC Physics, Condensed Matter SC Physics GA 124BF UT WOS:000243341200007 ER PT J AU Lynn, GW Heller, W Urban, V Wignall, GD Weiss, K Myles, DAA AF Lynn, G. W. Heller, William Urban, Volker Wignall, G. D. Weiss, Kevin Myles, Dean A. A. TI Bio-SANS - A dedicated facility for neutron structural biology at oak ridge national laboratory SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 8th International Conference on Neutron Scattering CY NOV 27-DEC 02, 2005 CL Sydney, AUSTRALIA DE protein complexes; deuterium labeling; modeling; SANS ID SMALL-ANGLE SCATTERING AB The Center for Structural Molecular Biology (CSMB) at Oak Ridge National Laboratory (ORNL) is developing facilities and techniques for the characterization and analysis of biological systems at the High Flux Isotope Reactor (HFIR) and the Spallation Neutron Source (SNS). The cornerstone of the effort is a small-angle neutron scattering instrument (Bio-SANS) currently under construction at HFIR that will be dedicated to the analysis of the structure, function and dynamics of complex biological systems. In support of this program, we are developing advanced computational tools for neutron analysis and modeling, alongside a supporting biophysical characterization and X-ray scattering infrastructure. Specifically, we established a Bio-Deuteration Laboratory for in vivo production of H/D-labeled macromolecules that will permit selected parts of macromolecular structures to be highlighted and analyzed in situ using neutron scattering. These new facilities will make ORNL a world-leading scientific center and user facility for neutron-based studies of biomolecular structure and function. (c) 2006 Elsevier B.V. All rights reserved. C1 Oak Ridge Natl Lab, Ctr Struct Mol Biol, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. RP Myles, DAA (reprint author), Oak Ridge Natl Lab, Ctr Struct Mol Biol, Oak Ridge, TN 37831 USA. EM mylesda@ornl.gov RI Urban, Volker/N-5361-2015; Weiss, Kevin/I-4669-2013; myles, dean/D-5860-2016 OI Urban, Volker/0000-0002-7962-3408; Weiss, Kevin/0000-0002-6486-8007; myles, dean/0000-0002-7693-4964 NR 5 TC 46 Z9 46 U1 0 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD NOV 15 PY 2006 VL 385-86 BP 880 EP 882 DI 10.1016/j.physb.2006.05.133 PN 2 PG 3 WC Physics, Condensed Matter SC Physics GA 124BF UT WOS:000243341200017 ER PT J AU Mason, TE Abernathy, D Anderson, I Ankner, J Egami, T Ehlers, G Ekkebus, A Granroth, G Hagen, M Herwig, K Hodges, J Hoffmann, C Horak, C Horton, L Klose, F Larese, J Mesecar, A Myles, D Neuefeind, J Ohl, M Tulk, C Wang, XL Zhao, J AF Mason, T. E. Abernathy, D. Anderson, I. Ankner, J. Egami, T. Ehlers, G. Ekkebus, A. Granroth, G. Hagen, M. Herwig, K. Hodges, J. Hoffmann, C. Horak, C. Horton, L. Klose, F. Larese, J. Mesecar, A. Myles, D. Neuefeind, J. Ohl, M. Tulk, C. Wang, X-L. Zhao, J. TI The Spallation Neutron Source in Oak Ridge: A powerful tool for materials research SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 8th International Conference on Neutron Scattering CY NOV 27-DEC 02, 2005 CL Sydney, AUSTRALIA DE pulsed neutron; neutron beam; neutron scattering; particle accelerators; material science; neutron science AB When completed in 2006, the Spallation Neutron Source (SNS) will use an accelerator to produce the most intense beams of pulsed neutrons in the world. This unique facility is being built by a collaboration of six US Department of Energy laboratories and will serve a diverse community of users drawn from academia, industry, and government labs. The project continues on schedule and within budget, with commissioning and installation of all systems going well. Installation of 14 state-of-the-art instruments is under way, and design work is being completed for several others. These new instruments will enable inelastic and elastic-scattering measurements across a broad range of science such as condensed-matter physics, chemistry, engineering materials, biology, and beyond. Neutron Science at SNS will be complemented by research opportunities at several other facilities tinder way at Oak Ridge National Laboratory. (c) 2006 Elsevier B.V. All rights reserved. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Univ Tennessee, Knoxville, TN 37996 USA. Univ Illinois, Chicago, IL 60607 USA. Res Ctr Julich, D-52425 Julich, Germany. RP Mason, TE (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. RI Herwig, Kenneth/F-4787-2011; Wang, Xun-Li/C-9636-2010; Abernathy, Douglas/A-3038-2012; Zhao, Jinkui/B-7872-2013; Mason, Thomas/M-5809-2014; Neuefeind, Joerg/D-9990-2015; Ehlers, Georg/B-5412-2008; Granroth, Garrett/G-3576-2012; myles, dean/D-5860-2016; Tulk, Chris/R-6088-2016; OI Wang, Xun-Li/0000-0003-4060-8777; Abernathy, Douglas/0000-0002-3533-003X; Zhao, Jinkui/0000-0002-7756-1952; Mason, Thomas/0000-0003-1880-3971; Hodges, Jason/0000-0003-3016-4578; Ankner, John/0000-0002-6737-5718; Neuefeind, Joerg/0000-0002-0563-1544; Ehlers, Georg/0000-0003-3513-508X; Granroth, Garrett/0000-0002-7583-8778; myles, dean/0000-0002-7693-4964; Tulk, Chris/0000-0003-3400-3878; Mesecar, Andrew/0000-0002-1241-2577 NR 2 TC 59 Z9 61 U1 0 U2 24 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD NOV 15 PY 2006 VL 385-86 BP 955 EP 960 DI 10.1016/j.physb.2006.05.281 PN 2 PG 6 WC Physics, Condensed Matter SC Physics GA 124BF UT WOS:000243341200038 ER PT J AU Carpenter, JM AF Carpenter, J. M. TI A long-wavelength target station for the SNS SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 8th International Conference on Neutron Scattering CY NOV 27-DEC 02, 2005 CL Sydney, AUSTRALIA DE long-wavelength neutrons; spallation neutron sources; cold neutrons AB A long-wavelength target station (LWTS) [J. M. Carpenter, T. E. Mason, Nucl. Instr. and Meth. A 545 (2001) 1; Technical concepts for a long-wavelength target station for the spallation neutron source, Argonne National Laboratory report ORNL/SNS-TM-2001/163, November, 2002; < http://www.pns.anl.gov/related/>] will complement the high-power target station (HPTS) facility of the spallation neutron source. The LWTS will at least double the overall scientific capability of the SNS and provide up to an order of magnitude performance gain over the initial HPTS. The fully equipped SNS has the prospect to offer capabilities for neutron-scattering studies that are unparalleled in the world. We describe the principal features of the LWTS concept and illustrate some neutron-scattering instruments suited to exploit the unique features of the LWTS. (c) 2006 Elsevier B.V. All rights reserved. C1 Argonne Natl Lab, IPNS, Argonne, IL 60439 USA. RP Carpenter, JM (reprint author), Argonne Natl Lab, IPNS, 9700 S Cass Ave, Argonne, IL 60439 USA. EM jmcarpenter@anl.gov NR 5 TC 1 Z9 1 U1 1 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD NOV 15 PY 2006 VL 385-86 BP 972 EP 975 DI 10.1016/j.physb.2006.05.286 PN 2 PG 4 WC Physics, Condensed Matter SC Physics GA 124BF UT WOS:000243341200042 ER PT J AU Mezei, F AF Mezei, F. TI Multi-wavelength data collection strategies in inelastic neutron scattering SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 8th International Conference on Neutron Scattering CY NOV 27-DEC 02, 2005 CL Sydney, AUSTRALIA DE inealstic scattering; repetition rate multiplication; multiple scattering; multiplexing introduction AB The overwhelming tradition in neutron-scattering research was the use of a monochromatic incoming beam with a single wavelength for essentially all kinds of experiments, with only a very few exceptions in the practice at continuous neutrons sources. The situation dramatically changed with the spread of pulsed spallation sources, where the wavelength scanning "energy dispersive" time-of-flight approach is the natural rule in all diffraction type work and in inverted geometry inelastic spectroscopy. In recent years, a number of new applications of multi-wavelength data collection strategies emerged in inelastic neutron spectroscopy, both at continuous and pulsed sources. The aim or the present paper is to review these developments. Time-of-flight (TOE) and Neutron Spin Echo (NSE) lend themselves most easily to such methods, since they allow rather exact comparison of absolute scattering intensities measured at different instrumental configurations. The use of multiple wavelengths can offer different kinds of advantages in neutron spectroscopy. Since the resolution of spectrometers rapidly changes with the wavelength, its variation can be effectively used to extend the available dynamic range. Inelastic multiple scattering effects can be precisely identified and corrected for by their inherently strong wavelength dependence. At pulsed spallation sources the multi-wavelength approach opens up the way to enhance data collection rates by eliminating at least a large part of the dead time between too distant Source pulses. (c) 2006 Elsevier B.V. All rights reserved. C1 Hahn Meitner Inst Berlin GmbH, D-14109 Berlin, Germany. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Mezei, F (reprint author), Hahn Meitner Inst Berlin GmbH, Glienicker Str 100, D-14109 Berlin, Germany. EM mezei@lanl.gov NR 6 TC 2 Z9 2 U1 1 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD NOV 15 PY 2006 VL 385-86 BP 995 EP 999 DI 10.1016/j.physb.2006.05.319 PN 2 PG 5 WC Physics, Condensed Matter SC Physics GA 124BF UT WOS:000243341200047 ER PT J AU Hamilton, WA Smith, GS Taylor, GB Larkins, BM Porcar, L AF Hamilton, W. A. Smith, G. S. Taylor, G. B. Larkins, B. M. Porcar, L. TI Current and future capabilities of the neutron reflectometer MIRROR at Oak Ridge National Laboratory's High Flux Isotope Reactor SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 8th International Conference on Neutron Scattering CY NOV 27-DEC 02, 2005 CL Sydney, AUSTRALIA DE neutron reflectometry; SANS; surfactant and polymer solutions; surface-induced ordering ID SCATTERING AB The peripatetic ORNL HFIR Center for Neutron Scattering reflectometer instrument MIRROR has recently been re-installed in an interim beam line position in the reactor beam room. In 2006 an upgraded version of the instrument will move to a high intensity guide hall position fed by the new HFIR cold source. In this short note, we present some aspects of current instrument operation-particularly with respect to data reduction from the instrument's linear reflection plane detector-with examples of ongoing research and analysis, and a brief outline of the expected capabilities of the fully upgraded guide hall instrument. (c) 2006 Elsevier B.V. All rights reserved. C1 Oak Ridge Natl Lab, HFIR Ctr Neutron Scattering, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. Univ Maryland, College Pk, MD 20742 USA. Natl Inst Stand & Technol, Ctr Neutron Res, Gaithersburg, MD 20899 USA. RP Hamilton, WA (reprint author), Oak Ridge Natl Lab, HFIR Ctr Neutron Scattering, Condensed Matter Sci Div, POB 2008, Oak Ridge, TN 37831 USA. EM HamiltonWA@ornl.gov RI Smith, Gregory/D-1659-2016 OI Smith, Gregory/0000-0001-5659-1805 NR 8 TC 1 Z9 1 U1 0 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD NOV 15 PY 2006 VL 385-86 BP 1007 EP 1009 DI 10.1016/j.physb.2006.05.321 PN 2 PG 3 WC Physics, Condensed Matter SC Physics GA 124BF UT WOS:000243341200049 ER PT J AU Peters, J Bleif, HJ Kali, G Rosta, L Mezei, F AF Peters, Judith Bleif, Hans-Juergen Kali, Gyorgy Rosta, Laszlo Mezei, Ferenc TI Performance of TOF powder diffractometers on reactor sources SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 8th International Conference on Neutron Scattering CY NOV 27-DEC 02, 2005 CL Sydney, AUSTRALIA DE time of flight; diffractometer; reactor source ID DIFFRACTION AB In 1998, a prototype of a time-of-flight (TOF) powder diffractometer was built at KFKI in Budapest in collaboration with the Hahn-Meitner-Institut (HMI) in Berlin. At a reactor source the neutron pulses are produced by a chopper system, which allows for shorter pulses than those obtained at pulsed spallation sources in the wavelength range most relevant for diffraction work, i.e. lambda >= 0.7 angstrom. Furthermore, the chopper system provides ail ideal symmetric line shape. First results proved the high potential of the approach, namely an excellent resolution of 1-5 x 10(-3) for Delta d/d was achieved. The prototype is presently rebuilt as a user instrument at the Budapest Neutron Centre. At HMI Berlin a new much more complex TOF powder diffractometer (EXED = extreme environment diffractometer) with higher resolution is under construction. It will benefit from variable resolution to achieve either ultrahigh resolution or very high intensities at conventional resolutions. EXED is devoted to studies under extreme sample conditions, for instance the TOF technique permits the access of a broad range of Q-values or d-spacing domains under scattering angle access strongly restricted by the use of highest field magnets. The whole instrument was simulated by Monte Carlo (MC) technique, and the simulations yield promising results. (c) 2006 Elsevier B.V. All rights reserved. C1 Hahn Meitner Inst Berlin GmbH, D-14109 Berlin, Germany. Budapest Res Reactor, H-1211 Budapest, Hungary. Res Inst Solid State Phys & Opt, H-1525 Budapest, Hungary. Los Alamos Natl Lab, LANSCE, Los Alamos, NM 87544 USA. RP Peters, J (reprint author), Hahn Meitner Inst Berlin GmbH, Glienicker Str 100, D-14109 Berlin, Germany. EM peters@hmi.de RI Kali, Gyorgy/C-2070-2008; OI Peters, Judith/0000-0001-5151-7710 NR 10 TC 4 Z9 4 U1 0 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD NOV 15 PY 2006 VL 385-86 BP 1019 EP 1021 DI 10.1016/j.physb.20063.05.325 PN 2 PG 3 WC Physics, Condensed Matter SC Physics GA 124BF UT WOS:000243341200053 ER PT J AU Schultz, AJ De Lurgio, PM Hammonds, JP Mikkelson, DJ Mikkelson, RL Miller, ME Naday, I Peterson, PF Porter, RR Worlton, TG AF Schultz, A. J. De Lurgio, P. M. Hammonds, J. P. Mikkelson, D. J. Mikkelson, R. L. Miller, M. E. Naday, I. Peterson, P. F. Porter, R. R. Worlton, T. G. TI The upgraded IPNS single crystal diffractometer SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 8th International Conference on Neutron Scattering CY NOV 27-DEC 02, 2005 CL Sydney, AUSTRALIA DE time-of-flight single-crystal neutron Laue diffraction; pulsed neutron diffraction; neutron position-sensitive detector ID NEUTRON-DIFFRACTION STRUCTURE; DETECTOR AB The IPNS single crystal diffractometer (SCD) has been operating since 1981 primarily as a general purpose instrument for small molecule crystallography and for Surveying reciprocal space. The instrument has recently undergone a major upgrade involving replacement of most of the hardware and software. In particular, two new position-sensitive scintillator area detectors based on the Anger camera concept were designed, fabricated and installed on the SCID. Each of these detectors have active areas of 15 x 15 cm(2) with a spatial resolution of better than 2 runt. A new data acquisition system permits the use of larger data files with a larger wavelength bandwidth at higher time-of-flight resolution. Software developed with tools in the ISAW workbench provides graphical manipulation Of three-dimensional arrays of data in histogram coordinates and in reciprocal space, and user-friendly wizards for routine data analysis. As described in this paper, the upgrade of the SCD provides significant improvements in resolution, speed of data collection, and ease of use. (c) 2006 Elsevier B.V. All rights reserved. C1 Argonne Natl Lab, High Energy Phys Div, Argonne, IL 60439 USA. Univ Wisconsin Stout, Dept Math Stat & Comp Sci, Menomonie, WI 54751 USA. RP Schultz, AJ (reprint author), Argonne Natl Lab, High Energy Phys Div, Argonne, IL 60439 USA. EM ajschultz@anl.gov RI Peterson, Peter/L-2496-2013 OI Peterson, Peter/0000-0002-1353-0348 NR 11 TC 23 Z9 23 U1 0 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD NOV 15 PY 2006 VL 385-86 BP 1059 EP 1061 DI 10.1016/j.physb.2006.05.339 PN 2 PG 3 WC Physics, Condensed Matter SC Physics GA 124BF UT WOS:000243341200066 ER PT J AU Neuefeind, J Chipley, KK Tulk, CA Simonson, JM Winokur, MJ AF Neuefeind, Jorg Chipley, Kenneth K. Tulk, Chris A. Simonson, J. Michael Winokur, Michael J. TI A nanoscale ordered materials diffractometer for the SNS SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 8th International Conference on Neutron Scattering CY NOV 27-DEC 02, 2005 CL Sydney, AUSTRALIA DE neutron scattering instrumentation; local order determination; liquids and amorphous materials ID DISORDERED MATERIALS AB The Nanoscale Ordered Materials Diffractometer (NOMAD) is one of five neutron scattering instruments being managed within the Spallation Neutron Source (SNS) Instruments-Next Generation (SING) project. NOMAD is designed as a high-flux, medium-resolution diffractometer using a large bandwidth of neutron energies and extensive detector coverage to perform structural determinations of local order in crystalline and amorphous materials. The instrument will enable studies of a large variety of samples ranging from liquids, solutions, glasses, polymers, and nanocrystalline materials to long-range ordered crystals and will allow unprecedented access to high-resolution pair distribution functions, small-contrast isotope substitution experiments, small sample sizes, and parametric studies. Project completion for the instrument is anticipated in 2010 and a review of the design status will be given. (c) 2006 Published by Elsevier B.V. C1 Oak Ridge Natl Lab, Div Chem, Oak Ridge, TN 37831 USA. Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. RP Neuefeind, J (reprint author), Oak Ridge Natl Lab, Div Chem, POB 2008,MS 6474, Oak Ridge, TN 37831 USA. EM neuefeindjc@ornl.gov RI Neuefeind, Joerg/D-9990-2015; Tulk, Chris/R-6088-2016 OI Neuefeind, Joerg/0000-0002-0563-1544; Tulk, Chris/0000-0003-3400-3878 NR 9 TC 4 Z9 4 U1 1 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD NOV 15 PY 2006 VL 385-86 BP 1066 EP 1069 DI 10.1016/j.physb.2006.05.341 PN 2 PG 4 WC Physics, Condensed Matter SC Physics GA 124BF UT WOS:000243341200068 ER PT J AU Granroth, GE Vandergriff, DH Nagler, SE AF Granroth, G. E. Vandergriff, D. H. Nagler, S. E. TI SEQUOIA: A fine resolution chopper spectrometer at the SNS SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 8th International Conference on Neutron Scattering CY NOV 27-DEC 02, 2005 CL Sydney, AUSTRALIA DE inelastic; neutron; spectroscopy; instrument AB SEQUOIA is a high resolution direct geometry chopper spectrometer currently under construction at the Spallation Neutron Source (SNS). The spectrometer is designed for incident energies ranging from E-i = 20-2000meV with resolution at the elastic position of Delta E/E-i 1 similar to 5%. With unprecedented monochromatic peak flux, SEQUOIA will be a unique best in class spectrometer. SEQUOIA takes advantage of several recent innovations in neutron instrumentation to excel in its performance. The performance of SEQUOIA, details of the innovations mentioned above, and the current status of construction will be presented. Published by Elsevier B.V. C1 Oak Ridge Natl Lab, Spallat Neutron Source, Expt Facil Div, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Ctr Neutron Scattering, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. RP Granroth, GE (reprint author), Oak Ridge Natl Lab, Spallat Neutron Source, Expt Facil Div, POB 2008, Oak Ridge, TN 37831 USA. EM granrothge@sns.gov RI Nagler, Stephen/B-9403-2010; Nagler, Stephen/E-4908-2010; Granroth, Garrett/G-3576-2012 OI Nagler, Stephen/0000-0002-7234-2339; Granroth, Garrett/0000-0002-7583-8778 NR 4 TC 39 Z9 39 U1 1 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD NOV 15 PY 2006 VL 385-86 BP 1104 EP 1106 DI 10.1016/j.physb.2006.05.379 PN 2 PG 3 WC Physics, Condensed Matter SC Physics GA 124BF UT WOS:000243341200080 ER PT J AU Shapiro, SM Zaliznyak, IA Passell, L Ghosh, VJ Leonhardt, WJ Hagen, ME AF Shapiro, S. M. Zaliznyak, I. A. Passell, L. Ghosh, V. J. Leonhardt, W. J. Hagen, M. E. TI HYSPEC: A crystal time-of-flight hybrid spectrometer for the spallation neutron source with polarization capabilities SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 8th International Conference on Neutron Scattering CY NOV 27-DEC 02, 2005 CL Sydney, AUSTRALIA DE inelastic neutron scattering; polarized neutrons AB The hybrid spectrometer (HYSPEC) is a unique direct geometry inelastic scattering instrument under construction at the spallation neutron source (SNS). It combines the intensity enhancement features of focusing Bragg crystals with time-of-flight energy analysis. It will be located at beam-line 14B, which views a coupled liquid hydrogen moderator. A neutron beam from the moderator will travel along a curved guide, through a Fermi chopper and will then be focused onto a sample in an external building, 39 in from the source. In this configuration the intensity at the sample position is more than an order of magnitude larger than for other planned inelastic instrument. A movable detector bank 4.5 in from the sample will cover all angular range of 60 degrees in the horizontal plane and 15 degrees in the vertical direction. An important feature of HYSPEC is the ability to do neutron polarization analysis experiments. A Heusler crystal, which polarizes the neutron beam, can be used as the focusing crystal and a series of bender analyzers will analyze the polarization of the scattered beam. (c) 2006 Elsevier B.V. All rights reserved. C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37830 USA. RP Shapiro, SM (reprint author), Brookhaven Natl Lab, Dept Phys, POB 500, Upton, NY 11973 USA. EM shapiro@bnl.gov RI Shapiro, Stephen/D-6747-2013; Zaliznyak, Igor/E-8532-2014 OI Zaliznyak, Igor/0000-0002-9886-3255 NR 7 TC 5 Z9 5 U1 1 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD NOV 15 PY 2006 VL 385-86 BP 1107 EP 1109 DI 10.1016/j.physb.2006.05.380 PN 2 PG 3 WC Physics, Condensed Matter SC Physics GA 124BF UT WOS:000243341200081 ER PT J AU Jones, GL Dias, F Collett, B Chen, WC Gentile, TR Piccoli, PMB Miller, ME Schultz, AJ Yan, H Tong, X Snow, WM Lee, WT Hoffmann, C Thomison, J AF Jones, G. L. Dias, F. Collett, B. Chen, W. C. Gentile, T. R. Piccoli, P. M. B. Miller, M. E. Schultz, A. J. Yan, H. Tong, X. Snow, W. M. Lee, W. T. Hoffmann, C. Thomison, J. TI Test of a continuously polarized He-3 neutron spin filter with NMR-based polarization inversion on a single-crystal diffractometer SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 8th International Conference on Neutron Scattering CY NOV 27-DEC 02, 2005 CL Sydney, AUSTRALIA DE neutron polarization; He-3 neutron spin filter; spin exchange optical pumping; adiabatic fast passage ID RELAXATION; ILL AB Spin filters based on the large spin dependence of the neutron absorption cross-section by 3 He are currently being applied in neutron scattering. We report here the construction and test of a He-3 neutron spin filter that incorporates (1) in situ continuous optical pumping to maximize the time-averaged polarization and maintain a stable He-3 polarization during experiments, and (2) low-loss adiabatic-fast-passage inversion of the He-3 polarization to eliminate the need for a neutron spin flipper. The device was successfully tested at the single-crystal diffractometer at the Intense-Pulsed Neutron Source, Argonne National Laboratory. This device can be used in measurements of static magnetic-materials as well as magnetic-relaxation phenomena with long relaxation times. Published by Elsevier B.V. C1 Hamilton Coll, Clinton, NY 13323 USA. NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. Intense Pulsed Neutron Source, Argonne, IL 60439 USA. Indiana Univ, IUCF, Bloomington, IN 47405 USA. Spallat Neutron Source, Oak Ridge, TN 37831 USA. RP Jones, GL (reprint author), Hamilton Coll, Clinton, NY 13323 USA. EM gjones@hamilton.edu RI tong, Xin/C-4853-2012; hoffmann, christina/D-2292-2016 OI tong, Xin/0000-0001-6105-5345; hoffmann, christina/0000-0002-7222-5845 NR 15 TC 28 Z9 29 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD NOV 15 PY 2006 VL 385-86 BP 1131 EP 1133 DI 10.1016/j.physb.2006.05.390 PN 2 PG 3 WC Physics, Condensed Matter SC Physics GA 124BF UT WOS:000243341200088 ER PT J AU Falus, P Vorobiev, A Krist, T AF Falus, Peter Vorobiev, Alexei Krist, Thomas TI Test of a two-dimensional neutron spin analyzer SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 8th International Conference on Neutron Scattering CY NOV 27-DEC 02, 2005 CL Sydney, AUSTRALIA DE neutron spin analyzer; large-angle analyzer; supermirrors AB The aim of this measurement was to test the new large-area spin polarization analyzer for the EVA-SERGIS beamline,it Institute Lane Langevin (ILL). The spin analyzer, which was built in Berlin selects one of the two spin states of a neutron beam of wavelength 5.5 angstrom impinging on a horizontal sample and reflected or scattered from the sample. The spin is analyzed for all neutrons scattered into a detector with an area of 190 mm x 190 turn positioned 2.7 in behind the sample, thus covering an angular interval of 4 degrees x 4 degrees. The tests were done at the HMI V14 beamline followed by tests Lit the EVA beamline at ILL. The transmission for the two spin components, the flipping ratio and small angle scattering were recorded while scanning the incoming beam on the analyzer. It was clearly visible, that due to the stacked construction the intensity is blocked Lit regular intervals. Careful inspection shows that the transmission of the good spin component is more than 0.72 for 60% of the detector area and the corrected flipping ratio is more than 47 for 60% of the detector area. Although some small-angle scattering is visible, it is notable that this analyzer design has small scattering intensities. (c) 2006 Elsevier B.V. All rights reserved. C1 Hahn Meitner Inst Berlin GmbH, D-14109 Berlin, Germany. Argonne Natl Lab, Argonne, IL 60439 USA. Max Planck Inst Med Res, D-70569 Stuttgart, Germany. RP Krist, T (reprint author), Hahn Meitner Inst Berlin GmbH, D-14109 Berlin, Germany. EM krist@hmi.de NR 2 TC 6 Z9 6 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD NOV 15 PY 2006 VL 385-86 BP 1149 EP 1151 DI 10.1016/j.physb.2006.05.395 PN 2 PG 3 WC Physics, Condensed Matter SC Physics GA 124BF UT WOS:000243341200093 ER PT J AU Nagler, SE Robertson, JL Crow, ML Chia, H AF Nagler, S. E. Robertson, J. L. Crow, M. L. Chia, H. TI Diamond powders as neutron filters SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 8th International Conference on Neutron Scattering CY NOV 27-DEC 02, 2005 CL Sydney, AUSTRALIA DE neutron filter; neutron scattering; diamond AB Low-energy band-pass filters are essential components for many neutron-scattering measurements, particularly cold-neutron inelastic scattering. There has been widespread use of polycrystalline Be filters for typical cutoff energies near 5meV. The need to cool the filters to minimize thermal diffuse scattering is inconvenient for many experiments and for this reason we have investigated alternatives. Polycrystalline diamond appears to be an excellent candidate, with the large Debye temperature reducing the need for cooling, an abundant supply of inexpensive material, and a large scattering length density. Using the ORELA pulsed neutron source and the HFIR at ORNL, we have characterized the energy dependence of the room temperature neutron transmission for several commercially available powders of both natural and artificial diamond with homogeneous particle sizes ranging from single digits to hundreds of microns. Sharp cutoffs are observed near neutron energies of 5meV. The low-energy transmission is reduced by small-angle scattering from voids, and we have begun to investigate methods of overcoming this limitation. Nevertheless, for some applications room temperature diamond powders are viable neutron filters. Published by Elsevier B.V. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Grinnell Coll, Grinnell, IA 50112 USA. RP Nagler, SE (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM naglerse@ornl.gov RI Nagler, Stephen/B-9403-2010; Nagler, Stephen/E-4908-2010 OI Nagler, Stephen/0000-0002-7234-2339 NR 8 TC 2 Z9 2 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD NOV 15 PY 2006 VL 385-86 BP 1280 EP 1282 DI 10.1016/j.physb.2006.06.048 PN 2 PG 3 WC Physics, Condensed Matter SC Physics GA 124BF UT WOS:000243341200134 ER PT J AU Fuzi, J David, E Kozlowski, T Lewis, P Messing, G Mezei, F Perittila, S Rosta, L Russina, M Torok, G AF Fuzi, J. David, E. Kozlowski, T. Lewis, P. Messing, G. Mezei, F. Perittila, S. Rosta, L. Russina, M. Torok, Gy. TI Neutron optical imaging study of neutron moderator and beam extraction system SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 8th International Conference on Neutron Scattering CY NOV 27-DEC 02, 2005 CL Sydney, AUSTRALIA DE neutron imaging; spallation sources; neutron optics AB The study of the performance of a cold-hydrogen moderator and a snpermirror-based neutron beam extraction system of the flight path 12 at LANSCE has been performed based on energy-resolved neutron optical imaging. We have developed a pinhole camera system with a 2D position-sensitive He-3 multiwire proportional chamber neutron detector with delay line position encoding (0.75 mm pixel size), together with a standalone time-of-flight electronic system with 1.2 mu s dead time. We have determined the efficiency, resolution, and counting rate saturation of the detector. In particular, we have considered an impact of these parameters on the quality of the images. The neutron images of the moderator were taken as a function of the neutron wavelength given by the time-of-flight information. The images were recorded as arrays of 256 x 256 x 2000 pixels; x and y coordinates, and time of flight. Information obtained from the images includes a distribution of the brightness on the neutron moderator, the efficiency and geometrical accuracy of the beam extraction system, and the reflectivity of the supermirror-coated elements of its optics. Our results demonstrate that the pinhole optical camera-based neutron imaging method combined with tune-of-flight information is an extremely efficient tool to characterize neutron sources and neutron beam extraction systems. (c) 2006 Elsevier B.V. All rights reserved. C1 Res Inst Solid State Phys & Opt, H-1525 Budapest, Hungary. Transilvania Univ, R-2200 Brasov, Romania. OPEN Optoelect, H-1121 Budapest, Hungary. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Hahn Meitner Inst Berlin GmbH, D-14109 Berlin, Germany. RP Fuzi, J (reprint author), Res Inst Solid State Phys & Opt, H-1525 Budapest, Hungary. EM fuzi@szfki.hu RI Fuzi, Janos/A-3435-2009; Russina, Margarita/E-9886-2016 OI Russina, Margarita/0000-0003-2067-606X NR 3 TC 4 Z9 5 U1 1 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD NOV 15 PY 2006 VL 385-86 BP 1315 EP 1317 DI 10.1016/j.physb.2006.06.062 PN 2 PG 3 WC Physics, Condensed Matter SC Physics GA 124BF UT WOS:000243341200145 ER PT J AU Lumsden, MD Robertson, JL Yethiraj, M AF Lumsden, M. D. Robertson, J. L. Yethiraj, M. TI SPICE - Spectrometer and Instrument Control Environment SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 8th International Conference on Neutron Scattering CY NOV 27-DEC 02, 2005 CL Sydney, AUSTRALIA DE data acquisition; triple-axis; UB matrix AB We have developed a data acquisition system for general neutron scattering instruments with the first application being the triple-axis spectrometer. We have employed a modular architecture which allows easy expansion to handle new instruments and new hardware. The triple-axis implementation includes an intuitive GUI, a simple command structure, capabilities for remote operation, and expanded experimental capabilities through the use of a UB matrix for handling sample orientation and manipulation. (c) 2006 Elsevier B.V. All rights reserved. C1 Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Lumsden, MD (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN USA. EM lumsdenmd@ornl.gov RI Lumsden, Mark/F-5366-2012 OI Lumsden, Mark/0000-0002-5472-9660 NR 1 TC 5 Z9 5 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD NOV 15 PY 2006 VL 385-86 BP 1336 EP 1339 DI 10.1016/j.physb.2006.06.071 PN 2 PG 4 WC Physics, Condensed Matter SC Physics GA 124BF UT WOS:000243341200152 ER PT J AU Worlton, T Hammonds, J Mikkelson, D Mikkelson, R Porter, R Tao, J Chatterjee, A AF Worlton, Thomas Hammonds, John Mikkelson, D. Mikkelson, Ruth Porter, Rodney Tao, Julian Chatterjee, Alok TI Instrument hardware and software upgrades at IPNS SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 8th International Conference on Neutron Scattering CY NOV 27-DEC 02, 2005 CL Sydney, AUSTRALIA DE neutron scattering; software; Java; data reduction; data analysis; visualization AB IPNS is in the process of upgrading their time-of-flight neutron scattering instruments with improved hardware and software. The hardware upgrades include replacing old VAX Qbus and Multibus-based data acquisition systems with new systems based on VXI and VME. Hardware upgrades also include expanded detector banks and new detector electronics. Old VAX Fortran-based data acquisition and analysis software is being replaced with new software as part of the ISAW project. ISAW is written in Java for ease of development and portability, and is now used routinely for data visualization, reduction, and analysis on all upgraded instruments. ISAW provides the ability to process and visualize the data from thousands of detector pixels. each having thousands of time channels. These operations can be done interactively through a familiar graphical user interface or automatically through simple scripts. Scripts and operators provided by end users are automatically included in the ISAW menu structure, along with those distributed with ISAW, when the application is started. Published by Elsevier B.V. C1 Argonne Natl Lab, Argonne, IL 60439 USA. Univ Wisconsin, Menomonie, WI USA. RP Worlton, T (reprint author), Argonne Natl Lab, 9700 So Cass Ave, Argonne, IL 60439 USA. EM tworlton@anl.gov NR 5 TC 2 Z9 2 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD NOV 15 PY 2006 VL 385-86 BP 1340 EP 1342 DI 10.1016/j.physb.2006.06.072 PN 2 PG 3 WC Physics, Condensed Matter SC Physics GA 124BF UT WOS:000243341200153 ER PT J AU Huffman, PR Arif, M Black, TC Jacobson, DL Schoen, K Snow, WM Werner, SA AF Huffman, P. R. Arif, M. Black, T. C. Jacobson, D. L. Schoen, K. Snow, W. M. Werner, S. A. TI Precision neutron interferometric measurements of the n-p, n-d, and n-He-3 zero-energy coherent neutron scattering amplitudes SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT Symposium on Neutron Interferometry and Coherence held in honor of Samuel A Werner CY NOV 27-DEC 02, 2005 CL Sydney, AUSTRALIA DE neutron interferometry; scattering amplitude; neutron optics; NN potentials; three-nucleon force; effective field theory ID EFFECTIVE-FIELD THEORY; FEW-NUCLEON SYSTEMS; CROSS-SECTION; LENGTHS AB We have performed high-precision measurements of the zero-energy neutron scattering amplitudes of gas phase molecular hydrogen, deuterium, and He-3 using neutron interferometry. We find b(np) = (-3.7384 +/- 0.0020) fm [K. Schoen, D.L. Jacobson, M. Arif, P.R. Huffman, T.C. Black, W.M. Snow, S.K. Lamoreaux, H. Kaiser, S.A. Werner, Phys. Rev. C 67 (2003) 044005], b(nd) = (6.6649 +/- 0.0040) fm [T.C. Black, P. R. Huffman, D.L. Jacobson, W.M. Snow, K. Schoen, M. Arif, H. Kaiser, S.K. Lamoreaux, S.A. Werner, Phys. Rev. Lett. 90 (2003) 192502, K. Schoen, D.L. Jacobson, M. Arif, P.R. Huffman, T.C. Black, W.M. Snow, S.K. Lamoreaux, H. Kaiser, S.A. Werner, Phys. Rev. C 67 (2003) 044005], and b(n)(He)(3) = (5.8572 +/- 10.0072) fm [P.R. Huffman, D.L. Jacobson, K. Schoen, M. Arif, T.C. Black, W.M. Snow, S.A. Werner, Phys. Rev. C 70 (2004) 014004]. When combined with the previous world data, properly corrected for small multiple scattering, radiative corrections, and local field effects from the theory of neutron optics and combined by the prescriptions of the particle data group, the zero-energy scattering amplitudes are: b(np) = (-3.7389 +/- 0.0010) fm, b(nd) = (6.6683 +/- 0.0030) fm, and b(n)(He)(3) = (5.853 +/- .007) fm. The precision of these measurements is now high enough to severely constrain NN few-body models. The n-d and n-(3) He coherent neutron scattering amplitudes are both now in disagreement with the best current theories. The new values can be used as input for precision calculations of few body processes. This precision data is sensitive to small effects such as nuclear three-body forces, charge-symmetry breaking in the strong interaction, and residual electromagnetic effects not yet fully included in current models. (c) 2006 Elsevier B.V. All rights reserved. C1 N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Natl Inst Stand & Technol, Gaithersburg, MD 20899 USA. Univ N Carolina, Dept Biol Sci, Wilmington, NC 28403 USA. Univ Missouri, Columbia, MO 65211 USA. Indiana Univ, IUCF, Bloomington, IN 47408 USA. RP Huffman, PR (reprint author), N Carolina State Univ, Dept Phys, Campus Box 8202, Raleigh, NC 27695 USA. EM paul_huffman@ncsu.edu OI Huffman, Paul/0000-0002-2562-1378 NR 35 TC 3 Z9 3 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD NOV 15 PY 2006 VL 385-86 BP 1365 EP 1370 DI 10.1016/j.physb.2006.05.185 PN 2 PG 6 WC Physics, Condensed Matter SC Physics GA 124BF UT WOS:000243341200161 ER PT J AU Littrell, KC AF Littrell, Kenneth C. TI Consequences of dynamical diffraction and the Sagnac effect in LLL perfect single crystal interferometers SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT Symposium on Neutron Interferometry and Coherence held in honor of Samuel A Werner CY NOV 27-DEC 02, 2005 CL Sydney, AUSTRALIA DE neutron interferometry; Sagnac effect; dynamical diffraction ID NEUTRON INTERFEROMETRY; QUANTUM INTERFERENCE; GRAVITY AB The LLL perfect single crystal interferorneter is an exciting tool for exploring a variety of topics of fundamental importance in understanding quantum mechanics and for precision measurement of neutron scattering lengths. One of the limiting factors in many neutron interferometry experiments is the overall size of the interferometer. Hence, ever-larger interferometers would scem to be preferable. However, the theory of dynamical diffraction predicts that neutrons that nearly but not exactly satisfy the Bragg condition take different trajectories through a crystal, giving rise to multiple mutually interfering wavefunctions that all contribute to the measurement of an interferogram. This complexity results in shifts in the measured phase difference and a loss of contrast of the interferogram in the presence of potentials which are dependent on the spatial differences between the trajectories of the neutron through the interferometer. This effect has already been experimentally verified for the gravitational potential. Here we discuss the similar effects of dynamical diffraction on the phase shift due to the Sagnac effect and their consequences on the observable contrast in large-scale interfierometers. (c) 2006 Elsevier B.V. All rights reserved. C1 Argonne Natl Lab, IPNS, Argonne, IL 60439 USA. RP Littrell, KC (reprint author), Argonne Natl Lab, IPNS, 9700 S Cass Ave, Argonne, IL 60439 USA. EM klittrell@anl.gov RI Littrell, Kenneth/D-2106-2013 OI Littrell, Kenneth/0000-0003-2308-8618 NR 9 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD NOV 15 PY 2006 VL 385-86 BP 1371 EP 1373 DI 10.1016/j.physb.2006.05.186 PN 2 PG 3 WC Physics, Condensed Matter SC Physics GA 124BF UT WOS:000243341200162 ER PT J AU Kosloff, M Han, GW Krishna, SS Schwarzenbacher, R Fasnacht, M Elsliger, MA Abdubek, P Agarwalla, S Ambing, E Astakhova, T Axelrod, HL Canaves, JM Carlton, D Chiu, HJ Clayton, T DiDonato, M Duan, L Feuerhelm, J Grittini, C Grzechnik, SK Hale, J Hampton, E Haugen, J Jaroszewski, L Jin, KK Johnson, H Klock, HE Knuth, MW Koesema, E Kreusch, A Kuhn, P Levin, I McMullan, D Miller, MD Morse, AT Moy, K Nigoghossian, E Okach, L Oommachen, S Page, R Paulsen, J Quijano, K Reyes, R Rife, CL Sims, E Spraggon, G Sridhar, V Stevens, RC van den Bedem, H Velasquez, J White, A Wolf, G Xu, QP Hodgson, KO Wooley, J Deacon, AM Godzik, A Lesley, SA Wilson, IA AF Kosloff, Mickey Han, Gye Won Krishna, S. Sri Schwarzenbacher, Robert Fasnacht, Marc Elsliger, Marc-Andre Abdubek, Polat Agarwalla, Sanjay Ambing, Eileen Astakhova, Tamara Axelrod, Herbert L. Canaves, Jaume M. . Carlton, Dennis Chiu, Hsiu-Ju Clayton, Thomas DiDonato, Michael Duan, Lian Feuerhelm, Julie Grittini, Carina Grzechnik, Slawomir K. Hale, Joanna Hampton, Eric Haugen, Justin Jaroszewski, Lukasz Jin, Kevin K. Johnson, Hope Klock, Heath E. Knuth, Mark W. Koesema, Eric Kreusch, Andreas Kuhn, Peter Levin, Inna McMullan, Daniel Miller, Mitchell D. Morse, Andrew T. Moy, Kin Nigoghossian, Edward Okach, Linda Oommachen, Silvya Page, Rebecca Paulsen, Jessica Quijano, Kevin Reyes, Ron Rife, Christopher L. Sims, Eric Spraggon, Glen Sridhar, Vandana Stevens, Raymond C. van den Bedem, Henry Velasquez, Jeff White, Aprilfawn Wolf, Guenter Xu, Qingping Hodgson, Keith O. Wooley, John Deacon, Ashley M. Godzik, Adam Lesley, Scott A. Wilson, Ian A. TI Comparative structural analysis of a novel glutathione S-transferase (Atu5508) from Agrobacterium tumefaciens at 2.0 angstrom resolution SO PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS LA English DT Article DE glutathione transferase; X-ray crystallography; consensus sequence; local structural motif; active site; dimer interface; specificity; JCSG; structural genomics ID MULTIPLE SEQUENCE ALIGNMENT; PLASMODIUM-FALCIPARUM; LIGANDIN FUNCTION; NUCLEIC-ACIDS; PROTEIN; MODEL; A1-1; THIOREDOXIN; GENERATION; STABILITY AB Glutathione S-transferases (GSTs) comprise a diverse superfamily of enzymes found in organisms from all kingdoms of life. GSTs are involved in diverse processes, notably small-molecule biosynthesis or detoxification, and are frequently also used in protein engineering studies or as biotechnology tools. Here, we report the high-resolution X-ray structure of Atu5508 from the pathogenic soil bacterium Agrobacterium tumefaciens (atGST1). Through use of comparative sequence and structural analysis of the GST superfamily, we identified local sequence and structural signatures, which allowed us to distinguish between different GST classes. This approach enables GST classification based on structure, without requiring additional biochemical or immunological data. Consequently, analysis of the atGST1 crystal structure suggests a new GST class, distinct from previously characterized GSTs, which would make it an attractive target for further biochemical studies. Proteins (c) 2006 Wiley-Liss, Inc. C1 Scripps Res Inst, JCSG, La Jolla, CA 92037 USA. Columbia Univ, Dept Biochem & Mol Biophys, New York, NY 10027 USA. Burnham Inst Med Res, La Jolla, CA USA. Univ Calif San Diego, Ctr Res Biol Syst, La Jolla, CA 92093 USA. Novartis Res Fdn, Genom Inst, San Diego, CA USA. Stanford Univ, Stanford Synchrotron Radiat Lab, Menlo Pk, CA USA. RP Wilson, IA (reprint author), Scripps Res Inst, JCSG, BCC206,10550 N Torrey Pines Rd, La Jolla, CA 92037 USA. EM wilson@scripps.edu RI Kosloff, Mickey/B-5962-2008; subramanian, srikrishna/D-5004-2009; Godzik, Adam/A-7279-2009 OI Kosloff, Mickey/0000-0003-1807-4000; subramanian, srikrishna/0000-0002-3263-1048; Godzik, Adam/0000-0002-2425-852X NR 45 TC 6 Z9 6 U1 0 U2 6 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0887-3585 J9 PROTEINS JI Proteins PD NOV 15 PY 2006 VL 65 IS 3 BP 527 EP 537 DI 10.1002/prot.21130 PG 11 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 094NV UT WOS:000241247100001 PM 16988933 ER PT J AU Hornak, V Abel, R Okur, A Strockbine, B Roitberg, A Simmerling, C AF Hornak, Viktor Abel, Robert Okur, Asim Strockbine, Bentley Roitberg, Adrian Simmerling, Carlos TI Comparison of multiple amber force fields and development of improved protein backbone parameters SO PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS LA English DT Article DE trialanine; dihedral parameters; molecular dynamics; molecular mechanics; decoy analysis; NMR order parameters; alpha-helix ID MOLECULAR-DYNAMICS SIMULATIONS; 2-DIMENSIONAL VIBRATIONAL SPECTROSCOPY; FREE-ENERGY CALCULATIONS; SEQUENCE CULLING SERVER; MAGNETIC-RESONANCE DATA; N-15 NMR RELAXATION; EGG-WHITE LYSOZYME; POLYPROLINE-II; AQUEOUS-SOLUTION; DISORDERED CONFORMATIONS AB The ff94 force field that is commonly associated with the Amber simulation package is one of the most widely used parameter sets for biomolecular simulation. After a decade of extensive use and testing, limitations in this force field, such as over-stabilization of alpha-helices, were reported by us and other researchers. This led to a number of attempts to improve these parameters, resulting in a variety of "Amber" force fields and significant difficulty in determining which should be used for a particular application. We show that several of these continue to suffer from inadequate balance between different secondary structure elements. In addition, the approach used in most of these studies neglected to account for the existence in Amber of two sets of backbone psi/psi dihedral terms. This led to parameter sets that provide unreasonable conformational preferences for glycine. We report here an effort to improve the psi/psi dihedral terms in the ff99 energy function. Dihedral term parameters are based on fitting the energies of multiple conformations of glycine and alanine tetrapeptides from high level ab initio quantum mechanical calculations. The new parameters for backbone dihedrals replace those in the existing ff99 force field. This parameter set, which we denote ff99SB, achieves a better balance of secondary structure elements as judged by improved distribution of backbone dihedrals for glycine and alanine with respect to PDB survey data. It also accomplishes improved agreement with published experimental data for conformational preferences of short alanine peptides and better accord with experimental NMR relaxation data of test protein systems. C1 SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. SUNY Stony Brook, Ctr Struct Biol, Stony Brook, NY 11794 USA. Univ Florida, Dept Chem, Gainesville, FL 32611 USA. Univ Florida, Quantum Theory Project, Gainesville, FL 32611 USA. SUNY Stony Brook, Dept Pharmacol Sci, Stony Brook, NY 11794 USA. Brookhaven Natl Lab, Computat Sci Ctr, Upton, NY 11973 USA. RP Simmerling, C (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. EM carlos.simmerling@stonybrook.edu RI Roitberg, Adrian/A-2378-2009 FU NIGMS NIH HHS [GM6167803, R01 GM061678, R01 GM061678-06A1] NR 72 TC 2741 Z9 2756 U1 33 U2 339 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0887-3585 J9 PROTEINS JI Proteins PD NOV 15 PY 2006 VL 65 IS 3 BP 712 EP 725 DI 10.1002/prot.21123 PG 14 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 094NV UT WOS:000241247100017 PM 16981200 ER PT J AU DiDonato, M Krishna, SS Schwarzenbacher, R McMullan, D Agarwalla, S Brittain, SM Miller, MD Abdubek, P Ambing, E Axelrod, HL Canaves, JM Chiu, HJ Deacon, AM Duan, L Elsliger, MA Godzik, A Grzechnik, SK Hale, J Hampton, E Haugen, J Jaroszewski, L Jin, KK Klock, HE Knuth, MW Koesema, E Kreusch, A Kuhn, P Lesley, SA Levin, I Morse, AT Nigoghossian, E Okach, L Oommachen, S Paulsen, J Quijano, K Reyes, R Rife, CL Spraggon, G Stevens, RC van den Bedem, H White, A Wolf, G Xu, QP Hodgson, KO Wooley, J Wilson, IA AF DiDonato, Michael Krishna, S. Sri Schwarzenbacher, Robert McMullan, Daniel Agarwalla, Sanjay Brittain, Scott M. Miller, Mitchell D. Abdubek, Polat Ambing, Eileen Axelrod, Herbert L. Canaves, Jaume M. Chiu, Hsiu-Ju Deacon, Ashley M. Duan, Lian Elsliger, Marc-Andre Godzik, Adam Grzechnik, Slawomir K. Hale, Joanna Hampton, Eric Haugen, Justin Jaroszewski, Lukasz Jin, Kevin K. Klock, Heath E. Knuth, Mark W. Koesema, Eric Kreusch, Andreas Kuhn, Peter Lesley, Scott A. Levin, Inna Morse, Andrew T. Nigoghossian, Edward Okach, Linda Oommachen, Silvya Paulsen, Jessica Quijano, Kevin Reyes, Ron Rife, Christopher L. Spraggon, Glen Stevens, Raymond C. van den Bedem, Henry White, Aprilfawn Wolf, Guenter Xu, Qingping Hodgson, Keith O. Wooley, John Wilson, Ian A. TI Crystal structure of 2-phosphosulfolactate phosphatase (ComB) from Clostridium acetobutylicum at 2.6 angstrom resolution reveals a new fold with a novel active site SO PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS LA English DT Article ID X-RAY-DIFFRACTION; REFINEMENT; GENERATION; PROTEINS; DATABASE; MODELS C1 Scripps Res Inst, JCSG, La Jolla, CA 92037 USA. Stanford Univ, Stanford Synchrotron Radiat Lab, Menlo Pk, CA USA. Univ Calif San Diego, La Jolla, CA 92093 USA. Novartis Res Fdn, Genom Inst, San Diego, CA USA. RP Wilson, IA (reprint author), Scripps Res Inst, JCSG, BCC206,10550 N Torrey Pines Rd, La Jolla, CA 92037 USA. EM wilson@scripps.edu RI subramanian, srikrishna/D-5004-2009; Godzik, Adam/A-7279-2009 OI subramanian, srikrishna/0000-0002-3263-1048; Godzik, Adam/0000-0002-2425-852X FU NIGMS NIH HHS [P50 GM062411, P50 GM62411, U54 GM074898] NR 23 TC 2 Z9 2 U1 0 U2 5 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0887-3585 J9 PROTEINS JI Proteins PD NOV 15 PY 2006 VL 65 IS 3 BP 771 EP 776 DI 10.1002/prot.20978 PG 6 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 094NV UT WOS:000241247100022 PM 16927339 ER PT J AU Xu, Q Krishna, SS McMullan, D Schwarzenbacher, R Miller, MD Abdubek, P Agarwalla, S Ambing, E Astakhova, T Axelrod, HL Canaves, JM Carlton, D Chiu, HJ Clayton, T DiDonato, M Duan, L Elsliger, MA Feuerhelm, J Grzechnik, SK Hale, J Hampton, E Han, GW Haugen, J Jaroszewski, L Jin, KK Klock, HE Knuth, MW Koesema, E Kreusch, A Kuhn, P Morse, AT Nigoghossian, E Okach, L Oommachen, S Paulsen, J Quijano, K Reyes, R Rife, CL Spraggon, G Stevens, RC van den Bedem, H White, A Wolf, G Hodgson, KO Wooley, J Deacon, AM Godzik, A Lesley, SA Wilson, IA AF Xu, Qingping Krishna, S. Sri McMullan, Daniel Schwarzenbacher, Robert Miller, Mitchell D. Abdubek, Polat Agarwalla, Sanjay Ambing, Eileen Astakhova, Tamara Axelrod, Herbert L. Canaves, Jaume M. Carlton, Dennis Chiu, Hsiu-Ju Clayton, Thomas DiDonato, Michael Duan, Lian Elsliger, Marc-Andre Feuerhelm, Julie Grzechnik, Slawomir K. Hale, Joanna Hampton, Eric Han, Gye Won Haugen, Justin Jaroszewski, Lukasz Jin, Kevin K. Klock, Heath E. Knuth, Mark W. Koesema, Eric Kreusch, Andreas Kuhn, Peter Morse, Andrew T. Nigoghossian, Edward Okach, Linda Oommachen, Silvya Paulsen, Jessica Quijano, Kevin Reyes, Ron Rife, Christopher L. Spraggon, Glen Stevens, Raymond C. van den Bedem, Henry White, Aprilfawn Wolf, Guenter Hodgson, Keith O. Wooley, John Deacon, Ashley M. Godzik, Adam Lesley, Scott A. Wilson, Ian A. TI Crystal structure of an ORFan protein (TM1622) from Thermotoga maritima at 1.75 angstrom resolution reveals a fold similar to the Ran-binding protein Mog1p SO PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS LA English DT Article ID GENERATION; DIFFRACTION; PROGRAM; MODEL C1 Scripps Res Inst, JCSG, La Jolla, CA 92037 USA. Burnham Inst Med Res, La Jolla, CA USA. Univ Calif San Diego, Ctr Res Biol Syst, La Jolla, CA 92093 USA. Novartis Res Fdn, Genom Inst, San Diego, CA USA. Stanford Univ, Stanford Synchrotron Radiat Lab, Menlo Pk, CA USA. RP Wilson, IA (reprint author), Scripps Res Inst, JCSG, BCC206,10550 N Torrey Pines Rd, La Jolla, CA 92037 USA. EM wilson@scripps.edu RI subramanian, srikrishna/D-5004-2009; Godzik, Adam/A-7279-2009 OI subramanian, srikrishna/0000-0002-3263-1048; Godzik, Adam/0000-0002-2425-852X FU NIGMS NIH HHS [U54 GM074898, P50 GM62411] NR 25 TC 5 Z9 5 U1 0 U2 5 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0887-3585 J9 PROTEINS JI Proteins PD NOV 15 PY 2006 VL 65 IS 3 BP 777 EP 782 DI 10.1002/prot.21015 PG 6 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 094NV UT WOS:000241247100023 PM 16948158 ER PT J AU Sukumar, N Chen, ZW Ferrari, D Merli, A Rossi, GL Bellamy, HD Chistoserdov, A Davidson, VL Mathews, FS AF Sukumar, Narayanasami Chen, Zhi-wei Ferrari, Davide Merli, Angelo Rossi, Gian Luigi Bellamy, Henry D. Chistoserdov, Andrei Davidson, Victor L. Mathews, F. Scott TI Crystal structure of an electron transfer complex between aromatic amine dehydrogenase and azurin from Alcaligenes faecalis SO BIOCHEMISTRY LA English DT Article ID TRYPTOPHAN TRYPTOPHYLQUINONE ENZYME; TRANSFER PROTEIN COMPLEX; METHYLAMINE DEHYDROGENASE; CYTOCHROME-C; AMICYANIN; NMR; DENITRIFICANS; QUINOPROTEIN; MUTAGENESIS; REFINEMENT AB The crystal structure of an electron transfer complex of aromatic amine dehydrogenase (AADH) and azurin is presented. Electrons are transferred from the tryptophan tryptophylquinone (TTQ) cofactor of AADH to the type I copper of the cupredoxin azurin. This structure is compared with the complex of the TTQ-containing methylamine dehydrogenase (MADH) and the cupredoxin amicyanin. Despite significant similarities between the two quinoproteins and the two cupredoxins, each is specific for its respective partner and the ionic strength dependence and magnitude of the binding constant for each complex are quite different. The AADH-azurin interface is largely hydrophobic, covering similar to 500 angstrom(2) of surface on each molecule, with one direct hydrogen bond linking them. The closest distance from TTQ to copper is 12.6 angstrom compared with a distance of 9.3 angstrom in the MADH-amicyanin complex. When the MADH-amicyanin complex is aligned with the AADH-azurin complex, the amicyanin lies on top of the azurin but is oriented quite differently. Although the copper atoms differ in position by similar to 4.7 angstrom, the amicyanin bound to MADH appears to be rotated similar to 90 degrees from its aligned position with azurin. Comparison of the structures of the two complexes identifies features of the interface that dictate the specificity of the protein-protein interaction and determine the rate of interprotein electron transfer. C1 Washington Univ, Sch Med, Dept Biochem & Mol Biophys, St Louis, MO 65211 USA. Univ Parma, Dept Biochem & Mol Biol, I-43100 Parma, Italy. Stanford Synchrotron Radiat Lab, Stanford, CA 94309 USA. Univ SW Louisiana, Dept Biol, Lafayette, LA 70504 USA. Univ Mississippi, Med Ctr, Dept Biochem, Jackson, MS 39216 USA. RP Mathews, FS (reprint author), Washington Univ, Sch Med, Dept Biochem & Mol Biophys, St Louis, MO 65211 USA. EM mathews@biochem.wustl.edu OI Davidson, Victor/0000-0002-1966-7302 FU NCRR NIH HHS [RR-15301]; NIGMS NIH HHS [GM41574, R01 GM041574] NR 43 TC 22 Z9 26 U1 1 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0006-2960 J9 BIOCHEMISTRY-US JI Biochemistry PD NOV 14 PY 2006 VL 45 IS 45 BP 13500 EP 13510 DI 10.1021/bi0612972 PG 11 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 102JZ UT WOS:000241808300010 PM 17087503 ER PT J AU Chen, C Jiang, L Michalczyk, R Russu, IM AF Chen, Congju Jiang, Lihong Michalczyk, Ryszard Russu, Irina M. TI Structural energetics and base-pair opening dynamics in sarcin-ricin domain RNA SO BIOCHEMISTRY LA English DT Article ID 28S RIBOSOMAL-RNA; IMINO PROTON-EXCHANGE; ALPHA-SARCIN; EUKARYOTIC RIBOSOMES; DNA; SITE; LOOP; NMR; CONFORMATION; SPECTROSCOPY AB The sarcin- ricin domain is a universal element of the RNA from the large ribosomal subunit. The domain is part of the binding site for elongation factors and is specifically cleaved by the toxins alpha- sarcin and ricin. In this work, we have mapped the energetics and dynamics of individual structural motifs in a 29- mer RNA oligomer containing the sarcin- ricin domain. The stability of individual base pairs in the structure was characterized from measurements of the exchange rates of imino protons using nuclear magnetic resonance spectroscopy at 10 degrees C. The measurements also provided the rates of opening and closing for selected base pairs. The results reveal that the structural stabilization free energies in the sarcin- ricin domain are broadly distributed between 2.9 and 10.6 kcal/ mol. One of the least stable sites in the structure is the noncanonical G- A base pair located next to the phosphodiester bond that is cleaved by alpha-sarcin. The low stability of this base pair supports the proposal that cleavage by R-sarcin occurs by a base flipping mechanism. The opening dynamics of other base pairs is affected by elements of the structure such as the bulged- G motif and its cross- strand stacking. Participation in these motifs increases the lifetimes of the bases in an open, solvent- accessible conformation. C1 Wesleyan Univ, Dept Chem, Middletown, CT 06459 USA. Wesleyan Univ, Mol Biophys Program, Middletown, CT 06459 USA. Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. RP Russu, IM (reprint author), Wesleyan Univ, Dept Chem, Middletown, CT 06459 USA. EM irussu@wesleyan.edu OI Michalczyk, Ryszard/0000-0001-8839-6473 NR 29 TC 14 Z9 14 U1 1 U2 3 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0006-2960 J9 BIOCHEMISTRY-US JI Biochemistry PD NOV 14 PY 2006 VL 45 IS 45 BP 13606 EP 13613 DI 10.1021/bi060908n PG 8 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 102JZ UT WOS:000241808300021 PM 17087514 ER PT J AU Kreuzer-Martin, HW Lott, MJ Ehleringer, JR Hegg, EL AF Kreuzer-Martin, Helen W. Lott, Michael J. Ehleringer, James R. Hegg, Eric L. TI Metabolic processes account for the majority of the intracellular water in log-phase Escherichia coli cells as revealed by hydrogen isotopes SO BIOCHEMISTRY LA English DT Article ID MONITORING MASS-SPECTROMETRY; FATTY-ACID BIOSYNTHESIS; CHANNELS; FRACTIONATION; SYSTEMS; OXYGEN AB It is generally believed that water transport across biological membranes is essentially a near-instantaneous process, with water molecules diffusing directly across the membrane as well as through pores such as aquaporins. As a result of these processes by which water can equilibrate across a membrane, a common assumption is that intracellular water is isotopically indistinguishable from extracellular water. To test this assumption directly, we measured the hydrogen isotope ratio of intracellular water in Escherichia coli cells. Our results demonstrate that more than 50% of the intracellular water hydrogen atoms in log-phase E. coli cells are isotopically distinct from the growth medium water and that these isotopically distinct hydrogen atoms are derived from metabolic processes. As expected, the H-2/H-1 isotope ratio of intracellular water from log- phase cells showed an appreciably larger contribution from metabolic water than did intracellular water from stationary- phase cells ( 53 +/- 12 and 23 +/- 5%, respectively). The 2H/ 1H isotope ratio of intracellular water was also monitored indirectly by measuring the isotope ratio of fatty acids, metabolites that are known to incorporate hydrogen atoms from water during biosynthesis. Significantly, the difference in the isotopic composition of intracellular water from log- to stationaryphase E. coli cells was reflected in the hydrogen isotope ratio of individual fatty acids harvested at the two different times, indicating that the isotope ratio of metabolites can be used as an indirect probe of metabolic activity. Together, these results demonstrate that contrary to the common assumption that intracellular water is isotopically identical to extracellular water, these two pools of water can actually be quite distinct. C1 Pacific NW Natl Lab, Prosser, WA 99350 USA. Univ Utah, Stable Isotope Ratio Facil Environm Res, Dept Biol, Salt Lake City, UT 84112 USA. Univ Utah, Dept Chem, Salt Lake City, UT 84112 USA. RP Kreuzer-Martin, HW (reprint author), Michigan State Univ, Dept Biochem & Mol Biol, 510 Biochem Bldg, E Lansing, MI 48824 USA. EM helen.kreuzer@pnl.gov; EricHegg@msu.edu FU NIGMS NIH HHS [GM66236] NR 43 TC 39 Z9 39 U1 0 U2 11 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0006-2960 J9 BIOCHEMISTRY-US JI Biochemistry PD NOV 14 PY 2006 VL 45 IS 45 BP 13622 EP 13630 DI 10.1021/bi0609164 PG 9 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 102JZ UT WOS:000241808300023 PM 17087516 ER PT J AU Zhang, L Li, ZR Tan, YQ Lolli, G Sakulchaicharoen, N Requejo, FG Mun, BS Resasco, DE AF Zhang, Liang Li, Zhongrui Tan, Yongqiang Lolli, Giulio Sakulchaicharoen, Nataphan Requejo, Felix G. Mun, B. Simon Resasco, Daniel E. TI Influence of a top crust of entangled nanotubes on the structure of vertically aligned forests of single-walled carbon nanotubes SO CHEMISTRY OF MATERIALS LA English DT Article ID X-RAY-ABSORPTION; CO-MO CATALYSTS; GROWTH; MORPHOLOGY; MOLECULES; NEXAFS AB The time evolution of the growth process of vertically aligned single- walled carbon nanotubes ( or V- SWNTs) on a flat substrate was examined by scanning electron microscopy ( SEM), resonant Raman spectroscopy, and angle- resolved X- ray absorption near- edge structure ( XANES). This detailed characterization gives evidence for the growth of a thin layer ( crust) of randomly oriented single- walled carbon nanotubes during the first stages of the growth process. This crust is responsible for the unique forest- like morphology exhibited by this type of SWNT structure. C1 Univ Oklahoma, Sch Chem Biochem & Mat Engn, Norman, OK 73019 USA. Natl Univ La Plata, CONICET, Dept Fis, RA-1900 La Plata, Argentina. Natl Univ La Plata, CONICET, INIFTA, IFLP, RA-1900 La Plata, Argentina. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Resasco, DE (reprint author), Univ Oklahoma, Sch Chem Biochem & Mat Engn, Norman, OK 73019 USA. EM resasco@ou.edu RI Mun, Bongjin /G-1701-2013; Requejo, Felix/O-2260-2016 OI Requejo, Felix/0000-0003-4439-864X NR 24 TC 49 Z9 49 U1 0 U2 10 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD NOV 14 PY 2006 VL 18 IS 23 BP 5624 EP 5629 DI 10.1021/cm061783b PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 102KB UT WOS:000241808600034 ER PT J AU Ramirez, JZ Vargas, R Garza, J Hay, BP AF Ramirez, Jose-Zeferino Vargas, Rubicelia Garza, Jorge Hay, Benjamin P. TI Performance of the effective core potentials of Ca, Hg, and Pb in complexes with ligands containing N and O donor atoms SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID RELATIVISTIC EFFECTIVE POTENTIALS; METAL CARBONYL-COMPLEXES; SPIN-ORBIT OPERATORS; MAIN-GROUP ELEMENTS; ANTI-GAUCHE ENERGY; AB-INITIO ECP/DFT; CONFORMATIONAL-ANALYSIS; MOLECULAR CALCULATIONS; ELECTRON-DIFFRACTION; AQUEOUS-SOLUTION AB This paper presents a systematic study of the performance of the relativistic effective core potentials (RECPs) proposed by Dolg-Stoll-Preuss, Christiansen-Ermler, and Hay-Wadt for Ca2+, Hg2+, and Pb2+. The RECPs performance is studied when these cations are combined with ethyleneglycol, 2-aminoethanol, and ethylenediamine to form bidentate complexes. First, the description of the bidentate ligands is analyzed with the Kohn-Sham method by using SVWN, BLYP, and B3LYP exchange-correlation functionals, and they are compared with the Moller-Plesset perturbation theory (MP2); for all these methods the TZVP basis set was used. We found that the BLYP exchange-correlation functional gives similar results like those obtained by the B3LYP and MP2 methods. Thus, the bidentate metal complexes were studied with the BLYP method combined with the RECPs. To compare RECPs performance, all the systems considered in this work were studied with the relativistic all-electron Douglas-Kroll (DK3) method. We observed that the Christiansen-Ermler and Dolg-Stoll-Preuss RECPs give the best energetic and geometrical description for Ca and Hg complexes when compared with the all-electron method. For Pb complexes the spin-orbit effect and the basis set superposition error must be taken into account in the RECP calculations. In general, the trend showed in the complexation energies with the all-electron method is followed by the complexation energies computed with all the pseudopotentials tested in this work. C1 Univ Autonoma Metropolitana Iztapalapa, Dept Quim, Mexico City 09340, DF, Mexico. Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. RP Vargas, R (reprint author), Univ Autonoma Metropolitana Iztapalapa, Dept Quim, Apartado Postal 55-534, Mexico City 09340, DF, Mexico. EM ruvf@xanum.uam.mx RI Ramirez, Jose Zeferino/D-9835-2016; Garza, Jorge/H-9395-2016; Garza-Olguin, Jorge/N-3106-2016 OI Ramirez, Jose Zeferino/0000-0002-3616-9137; Garza, Jorge/0000-0003-4249-6078; Garza-Olguin, Jorge/0000-0003-4249-6078 NR 74 TC 11 Z9 11 U1 0 U2 5 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9618 EI 1549-9626 J9 J CHEM THEORY COMPUT JI J. Chem. Theory Comput. PD NOV 14 PY 2006 VL 2 IS 6 BP 1510 EP 1519 DI 10.1021/ct050319f PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 104WV UT WOS:000241992200005 PM 26627021 ER PT J AU Shprits, YY Thorne, RM Friedel, R Reeves, GD Fennell, J Baker, DN Kanekal, SG AF Shprits, Y. Y. Thorne, R. M. Friedel, R. Reeves, G. D. Fennell, J. Baker, D. N. Kanekal, S. G. TI Outward radial diffusion driven by losses at magnetopause SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID ION-CYCLOTRON WAVES; RELATIVISTIC ELECTRON FLUX; PITCH-ANGLE SCATTERING; MODE CHORUS WAVES; BELT ELECTRONS; MAGNETIC STORM; GEOMAGNETIC STORMS; GEOSYNCHRONOUS ORBIT; EMIC WAVES; PRECIPITATION AB [1] Loss mechanisms responsible for the sudden depletions of the outer electron radiation belt are examined based on observations and radial diffusion modeling, with L*-derived boundary conditions. SAMPEX data for October-December 2003 indicate that depletions often occur when the magnetopause is compressed and geomagnetic activity is high, consistent with outward radial diffusion for L* > 4 driven by loss to the magnetopause. Multichannel Highly Elliptical Orbit (HEO) satellite observations show that depletions at higher L occur at energies as low as a few hundred keV, which excludes the possibility of the electromagnetic ion cyclotron (EMIC) wave-driven pitch angle scattering and loss to the atmosphere at L* > 4. We further examine the viability of the outward radial diffusion loss by comparing CRRES observations with radial diffusion model simulations. Model-data comparison shows that nonadiabatic flux dropouts near geosynchronous orbit can be effectively propagated by the outward radial diffusion to L* = 4 and can account for the main phase depletions of outer radiation belt electron fluxes. C1 Univ Calif Los Angeles, Dept Atmospher & Ocean Sci, Los Angeles, CA USA. Los Alamos Natl Lab, Los Alamos, NM USA. Aerosp Corp, El Segundo, CA USA. Univ Colorado, Atmospher & Space Phys Lab, Boulder, CO 80309 USA. RP Shprits, YY (reprint author), Univ Calif Los Angeles, Dept Atmospher & Ocean Sci, Los Angeles, CA USA. EM yshprits@atmos.ucla.edu RI Friedel, Reiner/D-1410-2012; Reeves, Geoffrey/E-8101-2011 OI Friedel, Reiner/0000-0002-5228-0281; Reeves, Geoffrey/0000-0002-7985-8098 NR 45 TC 169 Z9 171 U1 0 U2 3 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-9380 EI 2169-9402 J9 J GEOPHYS RES-SPACE JI J. Geophys. Res-Space Phys. PD NOV 14 PY 2006 VL 111 IS A11 AR A11214 DI 10.1029/2006JA011657 PG 7 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 107NS UT WOS:000242178900001 ER PT J AU Mattioli, M Mazzitelli, G Fournier, KB Finkenthal, M Carraro, L AF Mattioli, M. Mazzitelli, G. Fournier, K. B. Finkenthal, M. Carraro, L. TI Updating of atomic data needed for ionization balance evaluations of krypton and molybdenum SO JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS LA English DT Article ID ELECTRON-IMPACT IONIZATION; RECOMBINATION RATE COEFFICIENTS; AUTOIONIZATION CROSS-SECTIONS; ALCATOR C-MOD; RADIATIVE COOLING COEFFICIENT; DIRAC-FOCK CALCULATIONS; OPTICALLY THIN PLASMAS; HYDROGEN-LIKE IONS; LOW-DENSITY PLASMA; RARE-GAS ATOMS AB Atomic data for both ionization and recombination of Kr and Mo ions are reviewed, the rates for these processes needing to be regularly updated following the publication of new theoretical calculations and new experimental data. Kr is used in magnetic-confinement fusion devices to produce a peripheral radiating mantle meant to spread the heat load on the plasma-facing components. In a few tokamaks Mo tiles cover the plasma-facing surfaces, acting in most cases as a plasma-column limiter. The collected atomic data represent the state of the art on the ionization and recombination data for the two considered elements. Samples of rates are proposed for both ionization and recombination along with tables of the fractional abundances at ionization equilibrium. The proposed rates should be included in codes that simulate the impurity behaviour in magnetic-confinement fusion devices, i.e., when radial transport is added to ionization and recombination to predict spatially resolved charge-state distributions to be compared with experimental results. As an example, the simulation of a Mo laser blow-off injection on the JET tokamak is re-analysed with the revised rates and multiplicative correction factors are obtained for the rate ratios recombination over ionization for L-shell ions. C1 EURATOM, Enea Fus, Consorzio RFX, I-35127 Padua, Italy. EURATOM, Enea Fus, CR Frascati, I-00044 Frascati, Italy. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Johns Hopkins Univ, Plasma Spect Grp, Baltimore, MD 21218 USA. RP Mattioli, M (reprint author), EURATOM, Enea Fus, Consorzio RFX, Corso Stati Uniti 4, I-35127 Padua, Italy. NR 87 TC 9 Z9 9 U1 1 U2 16 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-4075 J9 J PHYS B-AT MOL OPT JI J. Phys. B-At. Mol. Opt. Phys. PD NOV 14 PY 2006 VL 39 IS 21 BP 4457 EP 4489 DI 10.1088/0953-4075/39/21/010 PG 33 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 113LI UT WOS:000242599000012 ER PT J AU Safronova, UI Safronova, AS Beiersdorfer, P AF Safronova, U. I. Safronova, A. S. Beiersdorfer, P. TI Multipole (E1, M1, E2, M2, E3, M3) transition wavelengths and rates between 3l(-1)5l ' excited and ground states in nickel-like ions SO JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS LA English DT Article ID MANY-BODY CALCULATIONS; NI-LIKE IONS; X-RAY LASER; HELIUM-LIKE IONS; CU-LIKE IONS; BE-LIKE IONS; ENERGY-LEVELS; ISOELECTRONIC SEQUENCE; LINE OVERLAP; NA-LIKE AB A relativistic many-body method is used to calculate energy and transition rates for multipole transitions in many-electron ions. This method is based on relativistic many-body perturbation theory (RMBPT), agrees with MCDF calculations in lowest order, includes all second-order correlation corrections and includes corrections from negative energy states. Reduced matrix elements, oscillator strengths and transition rates are calculated for electric-multipole ( dipole (E1), quadrupole (E2) and octupole (E3)) and magnetic-multipole ( dipole (M1), quadrupole (M2) and octupole (M3)) transitions between 3l(-1)5l' excited and ground states in Ni-like ions with nuclear charges ranging from Z = 30 to 100. The calculations start from a 1s(2)2s(2)2p(6)3s(2)3p(6)3d(10) Dirac-Fock potential. First-order perturbation theory is used to obtain intermediate-coupling coefficients, and second-order RMBPT is used to determine the matrix elements. A detailed discussion of the various contributions to the dipole matrix elements and energy levels is given for nickel-like tungsten ( Z = 74). The contributions from negative-energy states are included in the second-order E1, M1, E2 M2, E3 and M3 matrix elements. The resulting transition energies and transition rates are compared with experimental values and with results from other recent calculations. These atomic data are important in modelling of M-shell radiation spectra of heavy ions generated in electron beam ion trap experiments and in M-shell diagnostics of plasmas. C1 Univ Nevada, Dept Phys, Reno, NV 89557 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Safronova, UI (reprint author), Univ Nevada, Dept Phys, Reno, NV 89557 USA. NR 49 TC 9 Z9 9 U1 0 U2 10 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-4075 J9 J PHYS B-AT MOL OPT JI J. Phys. B-At. Mol. Opt. Phys. PD NOV 14 PY 2006 VL 39 IS 21 BP 4491 EP 4513 DI 10.1088/0953-4075/39/21/011 PG 23 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 113LI UT WOS:000242599000013 ER PT J AU Hu, YL Corbett, MC Fay, AW Webber, JA Hodgson, KO Hedman, B Ribbe, MW AF Hu, Yilin Corbett, Mary C. Fay, Aaron W. Webber, Jerome A. Hodgson, Keith O. Hedman, Britt Ribbe, Markus W. TI FeMo cofactor maturation on NifEN SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE biosynthesis; nitrogenase ID IRON-MOLYBDENUM COFACTOR; X-RAY-ABSORPTION; BIOLOGICAL NITROGEN-FIXATION; MOFE-PROTEIN; P-CLUSTER; STRUCTURAL INSIGHTS; EXAFS; DINITROGENASE; BIOSYNTHESIS; SPECTROSCOPY AB FeMo cofactor (FeMoco) biosynthesis is one of the most complicated processes in metalloprotein biochemistry. Here we show that Mo and homocitrate are incorporated into the Fe/S core of the FeMoco precursor while it is bound to NifEN and that the resulting fully complemented, FeMoco-like cluster is transformed into a mature FeMoco upon transfer from NifEN to MoFe protein through direct protein-protein interaction. Our findings riot only clarify the process of FeMoco maturation, but also provide useful insights into the other facets of nitrogenase chemistry. C1 Stanford Univ, Dept Chem, Stanford, CA 94305 USA. Univ Calif Irvine, Dept Mol Biol & Biochem, Irvine, CA 92697 USA. Stanford Univ, Stanford Synchrotron Radiat Lab, Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. RP Ribbe, MW (reprint author), Stanford Univ, Dept Chem, Stanford, CA 94305 USA. EM hogdson@ssrl.slac.stanford.edu; hedmn@ssrl.slac.stanford.edu; mribbe@uci.edu FU NCRR NIH HHS [RR-01209, P41 RR001209]; NIGMS NIH HHS [R01 GM067626, GM-67626] NR 35 TC 48 Z9 48 U1 0 U2 5 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD NOV 14 PY 2006 VL 103 IS 46 BP 17119 EP 17124 DI 10.1073/pnas.0602647103 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 108OP UT WOS:000242249400012 PM 17050696 ER PT J AU Hu, YL Corbettt, MC Fay, AW Webber, JA Hodgson, KO Hedman, B Ribbe, MW AF Hu, Yilin Corbettt, Mary C. Fay, Aaron W. Webber, Jerome A. Hodgson, Keith O. Hedman, Britt Ribbe, Markus W. TI Nitrogenase Fe protein: A molybdate/homocitrate insertase SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE biosynthesis ID RAY-ABSORPTION-SPECTROSCOPY; MOLYBDENUM-IRON PROTEIN; AZOTOBACTER-VINELANDII; MOFE-PROTEIN; P-CLUSTER; COFACTOR PRECURSOR; STRUCTURAL BASIS; BIOSYNTHESIS; FIXATION; IDENTIFICATION AB The Fe protein is indispensable for nitrogenase catalysis and biosynthesis. However, its function in iron-molybdenum cofactor (FeMoco) biosynthesis has not been clearly defined. Here we show that the Fe protein can act as a Mo/homocitrate insertase that mobilizes Mo/homocitrate for the maturation of FeMocoprecursor on NifEN. Further, we establish that Mo/homocitrate mobilization by the Fe protein likely involves hydrolysis of MgATP and protein-protein interaction between the Fe protein and NifEN. Our findings not only clarify the role of the Fe protein in FeMoco assembly and assign another function to this multitask enzyme but also provide useful insights into a mechanism of metal trafficking required for the assembly of complex metalloproteins such as nitrogenase. C1 Univ Calif Irvine, Dept Mol Biol & Biochem, Irvine, CA 92697 USA. Stanford Univ, Dept Chem, Stanford, CA 94305 USA. Stanford Univ, Stanford Linear Accelerator Ctr, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. RP Ribbe, MW (reprint author), Univ Calif Irvine, Dept Mol Biol & Biochem, Irvine, CA 92697 USA. EM hodgson@ssri.slac.stanford.edu; hedman@ssrl.slac.stanford.edu; mribbe@uci.edu FU NCRR NIH HHS [P41 RR001209, RR-01209]; NIGMS NIH HHS [GM-67626, R01 GM067626] NR 40 TC 40 Z9 40 U1 0 U2 8 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD NOV 14 PY 2006 VL 103 IS 46 BP 17125 EP 17130 DI 10.1073/pnas.0602651103 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 108OP UT WOS:000242249400013 PM 17062756 ER PT J AU Stewart, ME Mack, NH Malyarchuk, V Soares, JANT Lee, TW Gray, SK Nuzzo, RG Rogers, JA AF Stewart, Matthew E. Mack, Nathan H. Malyarchuk, Viktor Soares, Julio A. N. T. Lee, Tae-Woo Gray, Stephen K. Nuzzo, Ralph G. Rogers, John A. TI Quantitative multispectral biosensing and 1D imaging using quasi-3D plasmonic crystals SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE chemical sensing; nanoimprint lithography; surface plasmons; optical transmission spectra ID SELF-ASSEMBLED MONOLAYERS; REAL-TIME; RESONANCE SPECTROSCOPY; IMPRINT LITHOGRAPHY; LIGHT TRANSMISSION; DNA HYBRIDIZATION; NANOMETRIC HOLES; GOLD-FILMS; SURFACE; ARRAYS AB We developed a class of quasi-3D plasmonic crystal that consists of multilayered, regular arrays of subwavelength metal nanostructures. The complex, highly sensitive structure of the optical transmission spectra of these crystals makes them especially well suited for sensing applications. Coupled with quantitative electrodynamics modeling of their optical response, they enable full multiwavelength spectroscopic detection of molecular binding events with sensitivities that correspond to small fractions of a monolayer. The high degree of spatial uniformity of the crystals, formed by a soft nanoimprint technique, provides the ability to image binding events over large areas with micrometer spatial resolution. These features, together with compact form factors, low-cost fabrication procedures, simple readout apparatus, and ability for direct integration into microfluidic networks and arrays, suggest promise for these devices in label-free bioanalytical detection systems. C1 Univ Illinois, Dept Chem, Urbana, IL 61801 USA. Univ Illinois, Dept Mat Sci & Engn, Urbana, IL 61801 USA. Univ Illinois, Frederick Seitz Mat Res Lab, Urbana, IL 61801 USA. Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Nuzzo, RG (reprint author), Univ Illinois, Dept Chem, Urbana, IL 61801 USA. EM r-nuzzo@uiuc.edu; jrogers@uiuc.edu RI Rogers, John /L-2798-2016 NR 48 TC 227 Z9 228 U1 5 U2 71 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD NOV 14 PY 2006 VL 103 IS 46 BP 17143 EP 17148 DI 10.1073/pnas.0606216103 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 108OP UT WOS:000242249400016 PM 17085594 ER PT J AU McCall, SK Fluss, MJ Chung, BW McElfresh, MW Jackson, DD Chapline, GF AF McCall, S. K. Fluss, M. J. Chung, B. W. McElfresh, M. W. Jackson, D. D. Chapline, G. F. TI Emergent magnetic moments produced by self-damage in plutonium SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE disorder; magnetism; radiation damage ID FERMI-LIQUID BEHAVIOR; DELTA-PU; KONDO DISORDER; 5F ELECTRONS; ALLOYS; IRRADIATION; RESISTIVITY; METALS AB Plutonium possesses the most complicated phase diagram in the periodic table, driven by the complexities of overlapping 5f electron orbitals. Despite the importance of the 5f electrons in defining the structure and physical properties, there is no experimental evidence that these electrons localize to form magnetic moments in pure Pu. Instead, a large temperature-independent Pauli susceptibility indicates that they form narrow conduction bands. Radiation damage from the a-particle decay of Flu creates numerous defects in the crystal structure, which produce a significant temperature-dependent magnetic susceptibility, chi(T), in both alpha-Pu and delta-Pu (stabilized by 4.3 atomic percent Ga). This effect can be removed by thermal annealing above room temperature. By contrast, below 35 K the radiation damage is frozen in place, permitting the evolution in chi(T) with increasing damage to be studied systematically. This result leads to a two-component model consisting of a Curie-Weiss term and a short-ranged interaction term consistent with disorder-induced local moment models. Thus, it is shown that self-damage creates localized magnetic moments in previously nonmagnetic plutonium. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP McCall, SK (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave, Livermore, CA 94550 USA. EM mccall10@llnl.gov RI Chung, Brandon/G-2929-2012; McCall, Scott/G-1733-2014 OI McCall, Scott/0000-0002-7979-4944 NR 35 TC 33 Z9 33 U1 3 U2 22 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD NOV 14 PY 2006 VL 103 IS 46 BP 17179 EP 17183 DI 10.1073/pnas.0608552103 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 108OP UT WOS:000242249400023 PM 17088554 ER PT J AU Guy, JE Abreu, IA Moche, M Lindqvist, Y Whittle, E Shanklin, J AF Guy, Jodie E. Abreu, Isabel A. Moche, Martin Lindqvist, Ylva Whittle, Edward Shanklin, John TI A single mutation in the castor Delta(9)-18 : 0-desaturase changes reaction partitioning from desaturation to oxidase chemistry SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE binuclear; diiron; enzyme ID ACYL CARRIER PROTEIN; CRYSTAL-STRUCTURES; RICINUS-COMMUNIS; ACP DESATURASE; RUBRERYTHRIN; COMPLEXES; ENZYME; SEED; ACTIVATION; MECHANISM AB Sequence analysis of the diiron cluster-containing soluble desaturases suggests they are unrelated to other diiron enzymes; however, structural alignment of the core four-helix bundle of desaturases to other diiron enzymes reveals a conserved iron binding motif with similar spacing in all enzymes of this structural class, implying a common evolutionary ancestry. Detailed structural comparison of the castor desaturase with that of a peroxiclase, rubrerythrin, shows remarkable conservation of both identity and geometry of residues surrounding the diiron center, with the exception of residue 199. Position 199 is occupied by a threonine in the castor desaturase, but the equivalent position in rubrerythrin contains a glutamic acid. We previously hypothesized that a carboxylate in this location facilitates oxidase chemistry in rubrerythrin by the close apposition of a residue capable of facilitating proton transfer to the activated oxygen (in a hydrophobic cavity adjacent to the diiron center based on the crystal structure of the oxygen-binding mimic azide). Here we report that desaturase mutant T199D binds substrate but its desaturase activity decreases by approximate to 2 x 10(3)-fold. However, it shows a > 31-fold increase in peroxide-dependent oxidase activity with respect to WT desaturase, as monitored by single-turnover stopped-flow spectrometry. A 2.65-angstrom crystal structure of T199D reveals active-site geometry remarkably similar to that of rubrerythrin, consistent with its enhanced function as an oxidase enzyme. That a single amino acid substitution can switch reactivity from desaturation to oxidation provides experimental support for the hypothesis that the desaturase evolved from an ancestral oxidase enzyme. C1 Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. Karolinska Inst, Dept Med Biochem & Biophys, Div Mol Struct Biol, S-17177 Stockholm, Sweden. Karolinska Inst, Struct Genom Consortium, S-17177 Stockholm, Sweden. RP Shanklin, J (reprint author), Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. EM shanklin@bnl.gov RI Lindqvist, Ylva/F-9009-2010; Abreu, Isabel/I-5081-2013 OI Abreu, Isabel/0000-0002-5566-2146 NR 26 TC 21 Z9 22 U1 1 U2 8 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD NOV 14 PY 2006 VL 103 IS 46 BP 17220 EP 17224 DI 10.1073/pnas.0607165103 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 108OP UT WOS:000242249400030 PM 17088542 ER PT J AU Sozinova, O Jiang, Y Kaiser, D Alber, M AF Sozinova, Olga Jiang, Yi Kaiser, Dale Alber, Mark TI A three-dimensional model of myxobacterial fruiting-body formation SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE aggregation; lattice gas; myxobacteria; pattern formation ID MYXOCOCCUS-XANTHUS DEVELOPMENT; SURFACE-ASSOCIATED MORPHOGEN; GLIDING MOTILITY; C-SIGNAL; CELL POLARITY; DIFFERENTIATION; AGGREGATION; SPORULATION; REVERSAL; GENES AB Myxobacterial cells are social; they swarm by gliding on surfaces as they feed cooperatively. When they sense starvation, tens of thousands of cells change their movement pattern from outward spreading to inward concentration and form aggregates that become fruiting bodies. Cells inside fruiting bodies differentiate into round, nonmotile, environmentally resistant spores. Traditionally, cell aggregation has been considered to imply chemotaxis, a long-range cell interaction that shares many features of chemical reaction-diffusion dynamics. The biological evidence, however, suggests that Myxococcus xanthus aggregation is the consequence of direct cell-contact interactions that are different from chemotaxis. To test whether local interactions suffice to explain the formation of fruiting bodies and the differentiation of spores within them, we have simulated the process. In this article, we present a unified 3D model that reproduces in one continuous simulation all the stages of fruiting-body formation that have been experimentally observed: nonsymmetric initial aggregates (traffic jams), streams, formation of toroidal aggregates, hemispherical 3D mounds, and finally sporulation within the fruiting body. C1 Univ Notre Dame, Dept Math, Notre Dame, IN 46556 USA. Univ Notre Dame, Ctr Study Biocomplex, Notre Dame, IN 46556 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Stanford Univ, Dept Biochem, Stanford, CA 94305 USA. RP Alber, M (reprint author), Univ Notre Dame, Dept Math, Notre Dame, IN 46556 USA. EM malber@nd.edu FU NIGMS NIH HHS [1-R01-GM076692-OA, R01 GM076692, GM23441, R37 GM023441] NR 31 TC 24 Z9 25 U1 3 U2 5 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD NOV 14 PY 2006 VL 103 IS 46 BP 17255 EP 17259 DI 10.1073/pnas.0605555103 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 108OP UT WOS:000242249400036 PM 17088558 ER PT J AU Hu, XH Ho, KM AF Hu, Xinhua Ho, Kai-Ming TI Brewster angle phenomenon in two-dimensional metallic photonic crystals and its application to polarization beam splitting SO APPLIED PHYSICS LETTERS LA English DT Article ID NEGATIVE REFRACTION; CARBON NANOTUBES AB The authors show the Brewster angle phenomenon of p waves in two-dimensional metallic photonic crystals of rectangular lattices with effective medium theory and accurate multiple-scattering calculations. The Brewster angle can be tuned over a wide range by varying the structure parameters. Based on this phenomenon, the authors propose a polarization beam splitter which can completely separate the p and s waves at an incident angle of 45 degrees +/- 10 degrees in a very wide wavelength range (1 similar to 500 mu m). (c) 2006 American Institute of Physics. C1 Iowa State Univ Sci & Technol, Ames Lab, Ames, IA 50011 USA. Iowa State Univ Sci & Technol, Dept Phys & Astron, Ames, IA 50011 USA. RP Hu, XH (reprint author), Iowa State Univ Sci & Technol, Ames Lab, Ames, IA 50011 USA. EM xhhu@iastate.edu RI Hu, Xinhua/A-5930-2010 OI Hu, Xinhua/0000-0003-3153-7612 NR 23 TC 3 Z9 4 U1 0 U2 4 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD NOV 13 PY 2006 VL 89 IS 20 AR 201906 DI 10.1063/1.2387981 PG 3 WC Physics, Applied SC Physics GA 106KU UT WOS:000242100200028 ER PT J AU Lau, EY Lightstone, FC Colvin, ME AF Lau, Edmond Y. Lightstone, Felice C. Colvin, Michael E. TI Environmental effects on the structure of metal ion-DOTA complexes: An ab initio study of radiopharmaceutical metals SO INORGANIC CHEMISTRY LA English DT Article ID EFFECTIVE CORE POTENTIALS; 1,4,7,10-TETRAAZACYCLODODECANE-N,N',N'',N'''-TETRAACETIC ACID; MOLECULAR CALCULATIONS; SOMATOSTATIN ANALOG; MAGNETIC-RESONANCE; CRYSTAL-STRUCTURES; BINDING ANTIBODY; STABILITY; CHELATE; YTTRIUM AB Quantum chemical calculations were performed to study the differences between the important radiopharmaceutical metals yttrium (Y) and indium (In) bound by DOTA and modified DOTA molecules. Energies were calculated at the MP2/6-31+G(d)//HF/6-31G(d) levels, using effective core potentials on the Y and In ions. Although the minimum energy structures obtained are similar for both metal ion-DOTA complexes, changes in coordination and local environment significantly affect the geometries and energies of these complexes. Coordination by a single water molecule causes a change in the coordination number and a change in the position of the metal ion in In-DOTA, but Y-DOTA is hardly affected by water coordination. When one of the DOTA carboxylates is replaced by an amide, the resulting structures show a large variation between the Y and In ions. A six-residue model of the active site containing metal ion-DOTA showed that the Y-DOTA structure optimized to a structure similar to the crystal structure but that the water molecule in In-DOTA disrupts the salt bridge between Arg98B and a carboxylate side chain of DOTA. These observed differences could in part explain the differential binding constants for Y-DOTA and In-DOTA to the antibody 2D12.5. C1 Univ Calif Merced, Sch Nat Sci, Merced, CA 95344 USA. Lawrence Livermore Natl Lab, Biosci Directorate, Livermore, CA 94550 USA. RP Colvin, ME (reprint author), Univ Calif Merced, Sch Nat Sci, Merced, CA 95344 USA. EM mcolvin@ucmerced.edu FU NCI NIH HHS [CA47829] NR 33 TC 5 Z9 5 U1 1 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 J9 INORG CHEM JI Inorg. Chem. PD NOV 13 PY 2006 VL 45 IS 23 BP 9225 EP 9232 DI 10.1021/ic0602897 PG 8 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 101YZ UT WOS:000241778900017 PM 17083220 ER PT J AU Condron, CL Martin, J Nolas, GS Piccoli, PMB Schultz, AJ Kauzlarich, SM AF Condron, Cathie L. Martin, J. Nolas, G. S. Piccoli, Paula M. B. Schultz, Arthur J. Kauzlarich, Susan M. TI Structure and thermoelectric characterization of Ba8Al14Si31 SO INORGANIC CHEMISTRY LA English DT Article ID FLIGHT NEUTRON-DIFFRACTION; CLATHRATES BA8GA16GE30; THERMAL-CONDUCTIVITY; SR8GA16GE30; GE; BA8GA16SI30; BA8IN16SN30; CONVERSION; GERMANIUM AB A molten Al flux method was used to grow single crystals of the type I clathrate compound Ba8Al14Si31. Single-crystal neutron diffraction data for Ba8Al14Si31 were collected at room temperature using the SCD instrument at the Intense Pulsed Neutron Source, Argonne National Laboratory. Single-crystal neutron diffraction of Ba8Al14Si31 confirms that the Al partially occupies all of the framework sites (R1 = 0.0435, wR2 = 0.0687). Stoichiometry was determined by electron microprobe analysis, density measurements, and neutron diffraction analysis. Solid-state Al-27 NMR provides additional evidence for site preferences within the framework. This phase is best described as a framework-deficient solid solution Ba8Al14Si31, with the general formula, Ba8AlxSi42-3/4x[]4-1/4x (rectangle] indicates lattice defects). DSC measurements and powder X-ray diffraction data indicate that this is a congruently melting phase at 1416 K. Temperature-dependent resistivity reveals metallic behavior. The negative Seebeck coefficient indicates transport processes dominated by electrons as carriers. C1 Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. Univ S Florida, Dept Phys, Tampa, FL 33620 USA. Argonne Natl Lab, Div Intense Pulsed Neutron Source, Argonne, IL 60439 USA. RP Kauzlarich, SM (reprint author), Univ Calif Davis, Dept Chem, 1 Shields Ave, Davis, CA 95616 USA. EM smkauzlarich@ucdavis.edu NR 41 TC 63 Z9 63 U1 2 U2 36 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 EI 1520-510X J9 INORG CHEM JI Inorg. Chem. PD NOV 13 PY 2006 VL 45 IS 23 BP 9381 EP 9386 DI 10.1021/ic061241w PG 6 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 101YZ UT WOS:000241778900034 PM 17083237 ER PT J AU Schwarz, J Geissel, M Rambo, P Porter, J Headley, D Ramsey, M AF Schwarz, Jens Geissel, Matthias Rambo, Patrick Porter, John Headley, Daniel Ramsey, Marc TI Development of a variable focal length concave mirror for on-shot thermal lens correction in rod amplifiers SO OPTICS EXPRESS LA English DT Article ID Z-BEAMLET; LASER; RESONATOR; COMPENSATION; POWER AB An optical surface of variable concave parabolic shape and a clear aperture of 30 mm was created using two rings to deform a flat 50.8 mm diameter mirror. The deformable mirror assembly was modeled using finite element analysis software as well as analytical solutions. Measured parabolic surface deformation showed good agreement with those models. Mirror performance was quantitatively studied using an interferometer and focal lengths from hundreds of meters down to the meter scale have been achieved. In this publication, the deformable mirror has been applied to compensate on shot thermal lensing in 16 mm diameter and 25 mm diameter Nd: Phosphate glass rod amplifiers by using only a single actuator. The possibility to rapidly change focal lengths across two to three orders of magnitude has applications for remote sensing, such as laser induced breakdown spectroscopy, LIDAR, and control of laser filament formation. (c) 2006 Optical Society of America. C1 Sandia Natl Labs, Comforce Tech Serv, Albuquerque, NM 87185 USA. Amer Staff Augmentat Providers LLC, Albuquerque, NM 87185 USA. RP Schwarz, J (reprint author), Sandia Natl Labs, Comforce Tech Serv, POB 5800 MS 1193, Albuquerque, NM 87185 USA. EM jschwar@sandia.gov RI Ramsey, Marc/E-6412-2011 OI Ramsey, Marc/0000-0002-2290-716X NR 12 TC 14 Z9 15 U1 0 U2 5 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1094-4087 J9 OPT EXPRESS JI Opt. Express PD NOV 13 PY 2006 VL 14 IS 23 BP 10957 EP 10969 DI 10.1364/OE.14.010957 PG 13 WC Optics SC Optics GA 109RE UT WOS:000242325400001 PM 19529509 ER PT J AU Baker, KL AF Baker, K. L. TI Interferometric wavefront sensors for high contrast imaging SO OPTICS EXPRESS LA English DT Article ID ADAPTIVE OPTICS AB Several novel interferometer configurations are presented which have a high signal-to-noise ratio making them suitable for high contrast imaging. High contrast imaging instruments, such as required to directly observe extrasolar planets, will require adaptive optics systems capable of reducing the atmospherically induced phase aberrations to a few nm of wave-front error. The interferometer designs presented are shown to provide a higher contrast and/or are more robust than the conventional Mach-Zehnder interferometer, which has previously been considered for high contrast imaging. In addition, all of the interferometric-based wave-front sensors are shown to provide a significant improvement in the achievable contrast ratio when compared with conventional adaptive optics systems containing Shack-Hartmann wave-front sensors. (c) 2006 Optical Society of America. C1 Lawrence Livermore Natl Lab, Livermore, CA USA. RP Baker, KL (reprint author), Lawrence Livermore Natl Lab, Livermore, CA USA. EM Baker7@llnl.gov NR 10 TC 4 Z9 4 U1 0 U2 5 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1094-4087 J9 OPT EXPRESS JI Opt. Express PD NOV 13 PY 2006 VL 14 IS 23 BP 10970 EP 10975 DI 10.1364/OE.14.010970 PG 6 WC Optics SC Optics GA 109RE UT WOS:000242325400002 PM 19529510 ER PT J AU Nakahara, K Iwasa, S Iriyama, J Morioka, Y Suguro, M Satoh, M Cairns, EJ AF Nakahara, Kentaro Iwasa, Shigeyuki Iriyama, Jiro Morioka, Yukiko Suguro, Masahiro Satoh, Masaharu Cairns, Elton J. TI Electrochemical and spectroscopic measurements for stable nitroxyl radicals SO ELECTROCHIMICA ACTA LA English DT Article DE organic radical battery; nitroxyl radical; ESR spectroscopy ID RECHARGEABLE BATTERIES AB A nitroxyl radical, 2,2,6,6-tetramethyl-1-piperidinyloxy (TEMPO), is known to be oxidized electrochemically at 3.5 V versus lithium [4,5]. Since this reaction is reversible in the aprotic electrolyte, we can use it as a cathode reaction in lithium rechargeable battery. Some nitroxyl radical compounds which have different structures have been prepared and their electrochemical behavior and spectroscopic properties have been studied. The electrochemical measurements in aprotic electrolyte revealed that most nitroxyl radical compounds show reversible redox behavior similar to that of TEMPO independent of their structures in the range of -0.15-0.20 V versus Ag/Ag+ (3.69-4.04 V versus Li/Li+). The redox potentials for these materials were found to be predictable approximately by quantum calculations. Thus, various molecular designs tailored to desired redox potentials would be possible as active materials for lithium rechargeable batteries, and their specific capacities, mechanical properties and colors can be controlled within limits. (c) 2006 Elsevier Ltd. All rights reserved. C1 NEC Corp Ltd, Fundamental & Environm Res Labs, Tsukuba, Ibaraki 3058501, Japan. Lawrence Berkeley Lab, Environm Energy Technol Div, Livermore, CA USA. RP Nakahara, K (reprint author), NEC Corp Ltd, Fundamental & Environm Res Labs, 34 Miyukigaoka, Tsukuba, Ibaraki 3058501, Japan. EM k-nakahara@ak.jp.nec.com RI Cairns, Elton/E-8873-2012 OI Cairns, Elton/0000-0002-1179-7591 NR 8 TC 46 Z9 46 U1 4 U2 31 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0013-4686 J9 ELECTROCHIM ACTA JI Electrochim. Acta PD NOV 12 PY 2006 VL 52 IS 3 BP 921 EP 927 DI 10.1016/j.electacta.2006.06.028 PG 7 WC Electrochemistry SC Electrochemistry GA 113RX UT WOS:000242616100021 ER PT J AU Foltynowicz, RJ Allman, RE Zuckerman, E AF Foltynowicz, Robert J. Allman, Ronald E. Zuckerman, Eric TI Terahertz absorption measurement for gas-phase 2,4-dinitrotoluene from 0.05 THz to 2.7 THz SO CHEMICAL PHYSICS LETTERS LA English DT Article ID TIME-DOMAIN SPECTROSCOPY; COHERENT TRANSIENTS; VAPOR; EXPLOSIVES; WATER AB We report the first known vapor-phase spectrum of 2,4-dinitrotoluene (DNT) from 0.05 THz to 2.7 THz utilizing pulsed terahertz time-domain spectroscopy. We observed a broad-band absorption profile from 50 GHz to 600 GHz, peaking at 240 GHz. This broad absorption profile corresponds to DNTs pure rotational spectrum, which was confirmed by asymmetric top model calculations. Superimposed on the broad absorption profile, we observed discrete structure that extended to the higher THz frequencies. It is our contention that these features maybe related to the internal rotor motions of the NO2 and CH3 groups in DNT. (c) 2006 Elsevier B.V. All rights reserved. C1 Sandia Natl Labs, Albuquerque, NM 87123 USA. Augusta State Univ, Dept Chem & Phys, Augusta, GA 30904 USA. RP Foltynowicz, RJ (reprint author), Sandia Natl Labs, 1515 Eubank Blvd SE,Bldg 897, Albuquerque, NM 87123 USA. EM rjfolty@sandia.gov NR 11 TC 18 Z9 18 U1 1 U2 12 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2614 J9 CHEM PHYS LETT JI Chem. Phys. Lett. PD NOV 11 PY 2006 VL 431 IS 1-3 BP 34 EP 38 DI 10.1016/j.cplett.2006.09.058 PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 105DF UT WOS:000242008800007 ER PT J AU Fast, JD Gustafson, WI Easter, RC Zaveri, RA Barnard, JC Chapman, EG Grell, GA Peckham, SE AF Fast, Jerome D. Gustafson, William I., Jr. Easter, Richard C. Zaveri, Rahul A. Barnard, James C. Chapman, Elaine G. Grell, Georg A. Peckham, Steven E. TI Evolution of ozone, particulates, and aerosol direct radiative forcing in the vicinity of Houston using a fully coupled meteorology-chemistry-aerosol model SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID SECONDARY ORGANIC AEROSOL; AIR-QUALITY MODELS; FIELD CAMPAIGN; OPTICAL DEPTH; INDUSTRIAL PLUMES; REGIONAL AEROSOLS; ART.; URBAN; MULTICOMPONENT; ELECTROLYTES AB A new fully coupled meteorology-chemistry-aerosol model is used to simulate the urban-to regional-scale variations in trace gases, particulates, and aerosol direct radiative forcing in the vicinity of Houston over a 5 day summer period. Model performance is evaluated using a wide range of meteorological, chemistry, and particulate measurements obtained during the 2000 Texas Air Quality Study. The predicted trace gas and particulate distributions were qualitatively similar to the surface and aircraft measurements with considerable spatial variations resulting from urban, power plant, and industrial sources of primary pollutants. Sulfate, organic carbon, and other inorganics were the largest constituents of the predicted particulates. The predicted shortwave radiation was 30 to 40 W m(-2) closer to the observations when the aerosol optical properties were incorporated into the shortwave radiation scheme; however, the predicted hourly aerosol radiative forcing was still underestimated by 10 to 50 W m(-2). The predicted aerosol radiative forcing was larger over Houston and the industrial ship channel than over the rural areas, consistent with surface measurements. The differences between the observed and simulated aerosol radiative forcing resulted from transport errors, relative humidity errors in the upper convective boundary layer that affect aerosol water content, secondary organic aerosols that were not yet included in the model, and uncertainties in the primary particulate emission rates. The current model was run in a predictive mode and demonstrates the challenges of accurately simulating all of the meteorological, chemical, and aerosol parameters over urban to regional scales that can affect aerosol radiative forcing. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. NOAA, Global Syst Div, Earth Syst Res Lab, Boulder, CO USA. RP Fast, JD (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM jerome.fast@pnl.gov RI Gustafson, William/A-7732-2008; Chapman, Elaine/K-8756-2012; grell, georg/B-6234-2015; OI Gustafson, William/0000-0001-9927-1393; grell, georg/0000-0001-5214-8742; Zaveri, Rahul/0000-0001-9874-8807 NR 78 TC 285 Z9 287 U1 7 U2 76 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X EI 2169-8996 J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD NOV 11 PY 2006 VL 111 IS D21 AR D21305 DI 10.1029/2005JD006721 PG 29 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 104UH UT WOS:000241984500002 ER PT J AU Liu, XQ Kaminski, MD Guan, YP Chen, HT Liu, HZ Rosengart, AJ AF Liu, Xianqiao Kaminski, Michael D. Guan, Yueping Chen, Haitao Liu, Huizhou Rosengart, Axel J. TI Preparation and characterization of hydrophobic superparamagnetic magnetite gel SO JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS LA English DT Article ID IRON-OXIDE NANOPARTICLES; PARTICLES; FLUIDS; NANOSPHERES AB The present study describes the preparation and analysis of a highly concentrated hydrophobic oleic acid-coated magnetite gel. By contrast to conventional techniques to prepare magnetic fluids, herein the oleic acid was introduced as a reactant during the initial crystallization phase of magnetite that was obtained by the co-precipitation of Fe(II) and Fe(III) salts by addition of ammonium hydroxide. The resulting gelatinous hydrophobic magnetite was characterized in terms of morphology, particle size, magnetic properties, crystal structure, and hydrophobicity/hydrophilicity. This magnetic gel exhibited superparamagnetism with a saturation magnetization of 46.0 emu/g at room temperature and could be well dispersed both in polar and nonpolar carrier liquids. This protocol produced highly concentrated hydrophobic magnetic gel for biopolymer encapsulations. (C) 2006 Elsevier B.V. All rights reserved. C1 Univ Chicago, Dept Neurol, Chicago, IL 60637 USA. Univ Chicago, Dept Surg Neurosurg, Chicago, IL 60637 USA. Pritzker Sch Med, Chicago, IL 60637 USA. Argonne Natl Lab, Div Chem Engn, Argonne, IL 60439 USA. Chinese Acad Sci, Inst Proc Engn, Lab Separat Sci & Engn, Beijing, Peoples R China. RP Rosengart, AJ (reprint author), Univ Chicago, Dept Neurol, MC 2030,5841 S Maryland Ave, Chicago, IL 60637 USA. EM arosengart@uchicago.edu NR 22 TC 112 Z9 120 U1 1 U2 27 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-8853 J9 J MAGN MAGN MATER JI J. Magn. Magn. Mater. PD NOV 11 PY 2006 VL 306 IS 2 BP 248 EP 253 DI 10.1016/j.jmmm.2006.03.049 PG 6 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA 089MA UT WOS:000240883500015 ER PT J AU Verdier, M Huang, H Spaepen, F Embury, JD Kung, H AF Verdier, M. Huang, H. Spaepen, F. Embury, J. D. Kung, H. TI Microstructure, indentation and work hardening of Cu/Ag multilayers SO PHILOSOPHICAL MAGAZINE LA English DT Article ID THIN-FILMS; STRESS; CU AB Instrumented indentation and tensile tests were performed on free standing Cu/Ag multilayer thin films with layer thicknesses in the range 0.85 - 900 nm. The effect of layer thickness can be described by a Hall - Petch relationship. The work-hardening rate in the tensile test depends on layer thickness, which indicates that the interfaces create storage sites for dislocations and follows an inverse power law. C1 Los Alamos Natl Lab, CMS, Los Alamos, NM 87544 USA. Harvard Univ, Div Engn & Appl Sci, Cambridge, MA 02138 USA. RP Verdier, M (reprint author), Los Alamos Natl Lab, CMS, Mail Stop K765, Los Alamos, NM 87544 USA. EM mverdier@ltpcm.inpg.fr NR 17 TC 33 Z9 33 U1 2 U2 24 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PD NOV 11 PY 2006 VL 86 IS 32 BP 5009 EP 5016 DI 10.1080/14786430600746440 PG 8 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 073PY UT WOS:000239756300003 ER PT J AU Fassnacht, CD McKean, JP Koopmans, LVE Treu, T Blandford, RD Auger, MW Jeltema, TE Lubin, LM Margoniner, VE Wittman, D AF Fassnacht, C. D. McKean, J. P. Koopmans, L. V. E. Treu, T. Blandford, R. D. Auger, M. W. Jeltema, T. E. Lubin, L. M. Margoniner, V. E. Wittman, D. TI Three gravitational lenses for the price of one: Enhanced strong lensing through galaxy clustering SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies : individual (B1608+656); gravitational lensing ID HUBBLE-SPACE-TELESCOPE; ADVANCED CAMERA; ELLIPTIC GALAXIES; ACS SURVEY; INTERMEDIATE-REDSHIFT; FUNDAMENTAL PLANE; SKY SURVEY; EVOLUTION; Z-APPROXIMATE-TO-1; ENVIRONMENTS AB We report the serendipitous discovery of two strong gravitational lens candidates (ACS J160919+6532 and ACS J160910+6532) in deep images obtained with the Advanced Camera for Surveys on the Hubble Space Telescope, each less than 4000 from the previously known gravitational lens system CLASS B1608+656. The redshifts of both lens galaxies have been measured with Keck and Gemini: one is a member of a small galaxy group at z approximate to 0.63 that also includes the lensing galaxy in the B1608+656 system, and the second is a member of a foreground group at z approximate to 0.43. By measuring the effective radii and surface brightnesses of the two lens galaxies, we infer their velocity dispersions based on the passively evolving fundamental plane (FP) relation. Elliptical isothermal lens mass models are able to explain their image configurations within the lens hypothesis, with a velocity dispersion compatible with that estimated from the FP for a reasonable source-redshift range. Based on the large number of massive early-type galaxies in the field and the number density of faint blue galaxies, the presence of two additional lens systems around CLASS B1608+656 is not unlikely in hindsight. Gravitational lens galaxies are predominantly early-type galaxies, which are clustered, and the lensed quasar host galaxies are also clustered. Therefore, obtaining deep high-resolution images of the fields around known strong-lens systems is an excellent method of enhancing the probability of finding additional strong gravitational lens systems. C1 Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. Univ Groningen, Kapteyn Astron Inst, NL-9700 AV Groningen, Netherlands. Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. Stanford Linear Accelerator Ctr, Kavli Inst Particle Astrophys & Cosmol, Menlo Pk, CA 94025 USA. Carnegie Inst Washington Observ, Pasadena, CA 91101 USA. RP Fassnacht, CD (reprint author), Univ Calif Davis, Dept Phys, 1 Shields Ave, Davis, CA 95616 USA. EM fassnacht@physics.ucdavis.edu OI Wittman, David/0000-0002-0813-5888 NR 47 TC 14 Z9 14 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD NOV 10 PY 2006 VL 651 IS 2 BP 667 EP 675 DI 10.1086/507623 PN 1 PG 9 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 102PQ UT WOS:000241825000006 ER PT J AU Perlman, ES Padgett, CA Georganopoulos, M Sparks, WB Biretta, JA O'Dea, CP Baum, SA Birkinshaw, M Worrall, DM Dulwich, F Jester, S Martel, A Capetti, A Leahy, JP AF Perlman, Eric S. Padgett, C. A. Georganopoulos, Markos Sparks, William B. Biretta, John A. O'Dea, Christopher P. Baum, Stefi A. Birkinshaw, Mark Worrall, D. M. Dulwich, Fred Jester, Sebastian Martel, Andre Capetti, Alessandro Leahy, J. Patrick TI Optical polarimetry of the jets of nearby radio galaxies. I. The data SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies : active; galaxies : individual (3C 15, 3C 66B, 3C 78, 3C 264; 3C 346, 3C 371); galaxies : jets; polarization ID HUBBLE-SPACE-TELESCOPE; X-RAY JET; STEEP-SPECTRUM SOURCES; BL LACERTAE OBJECTS; M87 JET; SOURCE COUNTERPARTS; HIGH-RESOLUTION; SNAPSHOT SURVEY; 3C 66B; LINEAR-POLARIZATION AB We present an overview of new HST imaging polarimetry of six nearby radio galaxies with optical jets. These observations triple the number of extragalactic jets with subarcsecond-resolution optical polarimetry. We discuss the polarization characteristics and optical morphology of each jet. We find evidence of high optical polarization, averaging 20%, but reaching upwards of similar to 50% in some objects, confirming that the optical emission is synchrotron, and that the components of the magnetic fields perpendicular to the line of sight are well ordered. We find a wide range of polarization morphologies, with each jet having a somewhat different relationship between total intensity and polarized flux and the polarization position angle. We find two trends in all of these jets. First, jet "edges'' are very often associated with high fractional optical polarizations, as also found in earlier radio observations of these and other radio jets. In these regions, the magnetic field vectors appear to track the jet direction, even at bends, where we see particularly high fractional polarizations. This indicates a strong link between the local magnetic field and jet dynamics. Second, optical flux maximum regions are usually well separated from maxima in fractional polarization and often are associated with polarization minima. This trend is not found in radio data and was found in our optical polarimetry of M87 with HST. However, unlike in M87, we do not find a general trend for near 90 degrees rotations in the optical polarization vectors near flux maxima. We discuss possibilities for interpreting these trends, as well as implications for jet dynamics, magnetic field structure, and particle acceleration. C1 Univ Maryland Baltimore Cty, Joint Ctr Astrophys, Dept Phys, Baltimore, MD 21250 USA. Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. NASA, Goddard Space Flight Ctr, High Energy Astrophys Lab, Greenbelt, MD 20771 USA. Space Telescope Sci Inst, Baltimore, MD 21218 USA. Univ Bristol, HH Wills Phys Lab, Bristol BS8 1TL, Avon, England. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Osserv Astron Torino, INAF, I-10025 Pino Torinese, Italy. Univ Manchester, Jodrell Bank Observ, Sch Phys & Astron, Macclesfield SK11 9DL, Cheshire, England. RP Perlman, ES (reprint author), Univ Maryland Baltimore Cty, Joint Ctr Astrophys, Dept Phys, 1000 Hilltop Circle, Baltimore, MD 21250 USA. EM perlman@jca.umbc.edu; apadgett@jca.umbc.edu; markos@jca.umbc.edu; sparks@jca.umbc.edu; biretta@jca.umbc.edu; odea@cis.rit.edu; baum@cis.rit.edu; mark.birkinshaw@bristol.ac.uk; d.worrall@bristol.ac.uk; fred.dulwich@bristol.ac.uk; jester@phys.soton.ac.uk; capetti@to.astro.it; jpl@jb.man.ac.uk OI capetti, alessandro/0000-0003-3684-4275; Perlman, Eric/0000-0002-3099-1664 NR 98 TC 23 Z9 23 U1 0 U2 3 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD NOV 10 PY 2006 VL 651 IS 2 BP 735 EP 748 DI 10.1086/506587 PN 1 PG 14 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 102PQ UT WOS:000241825000012 ER PT J AU Brodwin, M Brown, MJI Ashby, MLN Bian, C Brand, K Dey, A Eisenhardt, PR Eisenstein, DJ Gonzalez, AH Huang, JS Jannuzi, BT Kochanek, CS McKenzie, E Murray, SS Pahre, MA Smith, HA Soifer, BT Stanford, SA Stern, D Elston, RJ AF Brodwin, M. Brown, M. J. I. Ashby, M. L. N. Bian, C. Brand, K. Dey, A. Eisenhardt, P. R. Eisenstein, D. J. Gonzalez, A. H. Huang, J. -S. Jannuzi, B. T. Kochanek, C. S. McKenzie, E. Murray, S. S. Pahre, M. A. Smith, H. A. Soifer, B. T. Stanford, S. A. Stern, D. Elston, R. J. TI Photometric redshifts in the IRAC Shallow Survey SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies : clusters : general; galaxies : clusters : individual (ISCS J1434.5+3427); galaxies : distances and redshifts; galaxies : evolution; galaxies : photometry; methods : statistical ID INFRARED ARRAY CAMERA; EVOLUTIONARY POPULATION SYNTHESIS; ARTIFICIAL NEURAL-NETWORKS; SPITZER-SPACE-TELESCOPE; STAR-FORMING GALAXIES; X-RAY SURVEY; DEEP FIELDS; HUBBLE; XBOOTES; CATALOG AB Accurate photometric redshifts are calculated for nearly 200,000 galaxies to a 4.5 mu m flux limit of similar to 13 mu Jy in the 8.5 deg(2) Spitzer IRAC Shallow Survey. Using a hybrid photometric redshift algorithm incorporating both neural net and template-fitting techniques, calibrated with over 15,000 spectroscopic redshifts, a redshift accuracy of sigma = 0.06(1 + z) is achieved for 95% of galaxies at 0 < z < 1.5. The accuracy is sigma = 0.12(1 + z) for 95% of active galactic nuclei (AGNs) at 0 < z < 3. Redshift probability functions, central to several ongoing studies of the galaxy population, are computed for the full sample. We demonstrate that these functions accurately represent the true redshift probability density, allowing the calculation of valid confidence intervals for all objects. These probability functions have already been used to successfully identify a population of Spitzer-selected high-redshift (z > 1) galaxy clusters. We present one such spectroscopically confirmed cluster at < z > = 1.24, ISCS J1434.5+3427. Finally, we present a measurement of the 4.5 mu m-selected galaxy redshift distribution. C1 CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. Princeton Univ, Princeton Univ Observ, Princeton, NJ 08544 USA. Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. CALTECH, Spitzer Sci Ctr, Pasadena, CA 91125 USA. Natl Opt Astron Observ, Tucson, AZ 85719 USA. Univ Arizona, Steward Observ, Tucson, AZ 85121 USA. Univ Florida, Dept Astron, Gainesville, FL 32611 USA. Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. Univ Calif Davis, Davis, CA 95616 USA. Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94550 USA. RP Brodwin, M (reprint author), CALTECH, Jet Prop Lab, Mail Stop 169-506, Pasadena, CA 91109 USA. EM mark.brodwin@jpl.nasa.gov RI Brown, Michael/B-1181-2015 OI Brown, Michael/0000-0002-1207-9137 NR 61 TC 108 Z9 108 U1 0 U2 4 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD NOV 10 PY 2006 VL 651 IS 2 BP 791 EP 803 DI 10.1086/507838 PN 1 PG 13 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 102PQ UT WOS:000241825000017 ER PT J AU Nysewander, MC Reichart, DE Park, HS Williams, GG Kinugasa, K Lamb, DQ Henden, AA Klose, S Kato, T Harper, A Yamaoka, H Laws, C Torii, K York, DG Barentine, JC Dembicky, J McMillan, RJ Moran, JA Hartmann, DH Ketzeback, B Bayliss, MB Bartelme, JW Crain, JA Foster, AC Schwartz, M Holvorcem, P Price, PA Canterna, R Crew, GB Ricker, GR Barthelmy, SD AF Nysewander, M. C. Reichart, D. E. Park, H. -S. Williams, G. G. Kinugasa, K. Lamb, D. Q. Henden, A. A. Klose, S. Kato, T. Harper, A. Yamaoka, H. Laws, C. Torii, K. York, D. G. Barentine, J. C. Dembicky, J. McMillan, R. J. Moran, J. A. Hartmann, D. H. Ketzeback, B. Bayliss, M. B. Bartelme, J. W. Crain, J. A. Foster, A. C. Schwartz, M. Holvorcem, P. Price, P. A. Canterna, R. Crew, G. B. Ricker, G. R. Barthelmy, S. D. TI Early time chromatic variations in the wind-swept medium of GRB 021211 and the faintness of its afterglow SO ASTROPHYSICAL JOURNAL LA English DT Article DE dust, extinction; gamma rays : bursts; magnetic fields; scattering; stars : winds, outflows; stars : Wolf-Rayet ID GAMMA-RAY-BURST; EARLY OPTICAL-EMISSION; 25 APRIL 1998; RADIO-EMISSION; DUST-ECHOES; X-RAY; UNUSUAL SUPERNOVA; DISCOVERY; GRB-010222; LIGHT AB We present Follow-Up Network for Gamma-Ray Bursts (FUN GRB) Collaboration observations of the optical afterglow of GRB 021211 made between 143 s and 102 days after the burst. Our unique data set includes the earliest filtered detections and color information for an afterglow in the pre-Swift era. We find that the afterglow is best described by (1) a propagation through a wind-swept medium, (2) a cooling break that is blueward of the observed optical frequencies, and (3) a hard electron energy distribution. However, superimposed on this ''standard model'' behavior we find, one and possibly two, significant chromatic variations during the first few hours after the burst. We consider possible reasons for these variations, including the possibility that they are due to a dust echo. Finally, we constrain physical parameters that describe the afterglow and the surrounding medium for a variety of scenarios and find that GRB 021211' s afterglow is faint for a combination of reasons: (1) a low fraction of energy in relativistic electrons, (2) a low density for the wind-swept medium, implying either a low mass-loss rate and/or a high wind velocity for the progenitor, (3) a wide opening/viewing angle for the jet, and possibly (4) moderate source-frame extinction. The jet appears to be significantly far from equipartition and magnetically dominated. More extreme versions of this might explain the darkness of many afterglows in the Swift era. C1 Univ N Carolina, Dept Phys & Astron, Chapel Hill, NC 27599 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Arizona, MMT Observ, Tucson, AZ 85721 USA. Gunma Astron Observ, Agatsuma, Gunma 3770702, Japan. Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60615 USA. Clinton B Ford Astron Data & Res Ctr, Amer Assoc Variable Star Observ, Cambridge, MA 02138 USA. Thuringer Landessternwarte, D-07778 Tautenburg, Germany. Kyoto Univ, Dept Astron, Fac Sci, Sakyo Ku, Kyoto 6068502, Japan. Kyushu Univ, Dept Phys, Fukuoka 8108560, Japan. Univ Washington, Dept Astron, Seattle, WA 98195 USA. Grad Sch Sci, Dept Earth & Space Sci, Toyonaka, Osaka 5600043, Japan. Apache Point Observ, Sunspot, NM 88349 USA. Clemson Univ, Dept Phys & Astron, Clemson, SC 29634 USA. Tenagra Observ, Nogales, AZ 85621 USA. Univ Hawaii, Inst Astron, Honolulu, HI 96822 USA. Univ Wyoming, Dept Phys & Astron, Laramie, WY 82072 USA. MIT, Ctr Space Res, Cambridge, MA 02139 USA. NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. RP Nysewander, MC (reprint author), Univ N Carolina, Dept Phys & Astron, Campus Box 3255, Chapel Hill, NC 27599 USA. EM mnysewan@physics.unc.edu; reichart@physics.unc.edu RI Barthelmy, Scott/D-2943-2012 NR 70 TC 4 Z9 4 U1 0 U2 4 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD NOV 10 PY 2006 VL 651 IS 2 BP 994 EP 1004 DI 10.1086/506980 PN 1 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 102PQ UT WOS:000241825000034 ER PT J AU Kowalski, PM AF Kowalski, Piotr M. TI The pseudocontinuum bound-free opacity of hydrogen and its importance in cool White Dwarf atmospheres SO ASTROPHYSICAL JOURNAL LA English DT Article DE atomic processes; dense matter; stars : atmospheres; white dwarfs ID POTENTIAL-ENERGY SURFACE; SPECTRA; PHOTOIONIZATION AB We investigate the importance of the pseudocontinuum bound-free opacity from hydrogen atoms in the atmospheres of cool white dwarfs. This source of absorption, when calculated by the occupation probability formalism applied in the modeling of white dwarf atmospheres with T-eff < 17, 000 K, dominates all other sources of opacity at optical wavelengths. This is unrealistic and not observed. On the other hand, a significant flux suppression in the blue part of the spectra of cool white dwarfs has been reported and mainly interpreted as a result of the pseudocontinuum absorption from atomic hydrogen. We investigate this problem by proposing a new, more realistic approach to calculating this source of opacity. We show that this absorption is orders of magnitude smaller than that predicted by current methods. Therefore, we rule out the pseudocontinuum opacity as a source of the flux deficiency observed in the spectra of cool white dwarfs. C1 Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Kowalski, PM (reprint author), Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. EM kowalski@lanl.gov RI Kowalski, Piotr/L-7411-2013 OI Kowalski, Piotr/0000-0001-6604-3458 NR 17 TC 13 Z9 13 U1 0 U2 3 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD NOV 10 PY 2006 VL 651 IS 2 BP 1120 EP 1125 DI 10.1086/507979 PN 1 PG 6 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 102PQ UT WOS:000241825000046 ER PT J AU Kowalski, PM Saumon, D AF Kowalski, P. M. Saumon, D. TI Found: The missing blue opacity in atmosphere models of cool hydrogen white dwarfs SO ASTROPHYSICAL JOURNAL LA English DT Article DE atomic processes; line : profiles; stars : atmospheres; white dwarfs ID POTENTIAL-ENERGY SURFACE; DIGITAL-SKY-SURVEY; LYMAN-ALPHA; TRANSITION MOMENTS; ELEMENT ABUNDANCES; HELIUM; RICH; ABSORPTION; COLLISIONS; WINGS AB We investigate the importance of the far red wing of the Ly alpha line of hydrogen in the atmospheres of cool white dwarfs of pure hydrogen composition. We find that this absorption process dominates all important sources of opacity in the blue part of the optical spectrum of these stars. Our successful fits to the spectra of cool DA/DC white dwarfs indicate that the far red wing of the Lya line is the source of opacity that had been missing in the models. The observed sequence of cool white dwarfs in color-color diagrams is very well reproduced by our new pure hydrogen atmosphere models, suggesting that the atmospheric composition of the coolest DC white dwarfs must be revisited. C1 Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Kowalski, PM (reprint author), Vanderbilt Univ, Dept Phys & Astron, 221 Kirkland Hall, Nashville, TN 37235 USA. EM kowalski@lanl.gov; dsaumon@lanl.gov RI Kowalski, Piotr/L-7411-2013 OI Kowalski, Piotr/0000-0001-6604-3458 NR 30 TC 106 Z9 106 U1 0 U2 5 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD NOV 10 PY 2006 VL 651 IS 2 BP L137 EP L140 DI 10.1086/509723 PN 2 PG 4 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 102PR UT WOS:000241825100015 ER PT J AU Schiavon, RP Faber, SM Konidaris, N Graves, G Willmer, CNA Weiner, BJ Coil, AL Cooper, MC Davis, M Harker, J Koo, DC Newman, JA Yan, RB AF Schiavon, Ricardo P. Faber, S. M. Konidaris, Nicholas Graves, Genevieve Willmer, Christopher N. A. Weiner, Benjamin J. Coil, Alison L. Cooper, Michael C. Davis, Marc Harker, Justin Koo, David C. Newman, Jeffrey A. Yan, Renbin TI The DEEP2 galaxy redshift survey: Mean ages and metallicities of red field galaxies at z similar to 0.9 from stacked Keck DEIMOS spectra SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies : distances and redshifts; galaxies : evolution; galaxies : stellar content ID STELLAR POPULATIONS; STAR-FORMATION; IONIZED-GAS; EVOLUTION; SEQUENCE; INDEXES; PARAMETERS; HISTORIES; EMISSION; CLUSTER AB As part of the DEEP2 galaxy redshift survey, we analyze absorption line strengths in stacked Keck DEIMOS spectra of red field galaxies with weak to no emission lines, at redshifts. Comparison with models 0.7 <= z <= 1 of stellar population synthesis shows that red galaxies at have mean luminosity-weighted ages of the z similar to 0.9 order of only 1 Gyr and at least solar metallicities. These ages cannot be reconciled with a scenario in which all stars evolved passively after forming at very high z. Rather, a significant fraction of stars can be no more than 1 Gyr old, which means that some star formation in the stacked populations continued to at least z similar to 1.2. Furthermore, a comparison of these distant galaxies with a local SDSS sample, using stellar population synthesis models, shows that the drop in the equivalent width of H delta from z similar to 0.9 to 0.1 is less than that predicted by passively evolving models. This admits two interpretations: either each individual galaxy experiences continuing low-level star formation, or the red-sequence galaxy population from z similar to 0.9 to 0.1 is continually being addedto by new galaxies with younger stars. C1 Univ Virginia, Dept Astron, Charlottesville, VA 22903 USA. Univ Calif Santa Cruz, Lick Observ, UCO, Santa Cruz, CA 95064 USA. Univ Calif Santa Cruz, DepAst, Santa Cruz, CA 95064 USA. Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. Univ Maryland, Dept Astron, College Pk, MD 20742 USA. Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Schiavon, RP (reprint author), Univ Virginia, Dept Astron, POB 3818, Charlottesville, VA 22903 USA. OI Weiner, Benjamin/0000-0001-6065-7483 NR 29 TC 42 Z9 42 U1 0 U2 5 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD NOV 10 PY 2006 VL 651 IS 2 BP L93 EP L96 DI 10.1086/509074 PN 2 PG 4 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 102PR UT WOS:000241825100005 ER PT J AU Lyubutin, IS Gavriliuk, AG Struzhkin, VV Ovehinnikov, SG Kharlamova, SA Bezmaternykh, LN Hu, M Chow, P AF Lyubutin, I. S. Gavriliuk, A. G. Struzhkin, V. V. Ovehinnikov, S. G. Kharlamova, S. A. Bezmaternykh, L. N. Hu, M. Chow, P. TI Pressure-induced electron spin transition in the paramagnetic phase of the GdFe3(BO3)(4) Heisenberg magnet SO JETP LETTERS LA English DT Article ID TRIGONAL GDFE3(BO3)(4); NUCLEAR; FEBO3; STATE; SCATTERING; COLLAPSE AB The HS -> LS spin crossover effect (high-spin -> low-spin transition) induced by high pressure in the range 45-53 GPa is observed in trivalent Fe3+ ions in the paramagnetic phase of a (GdFe3)-Fe-57(BO3)(4) gadolinium iron borate crystal. This effect is studied in high-pressure diamond-anvil cells by two experimental methods using synchrotron radiation: nuclear resonant forward scattering (NFS) and Fe K-beta high-resolution x-ray emission spectroscopy (YES). The manifestation of the crossover in the paramagnetic phase, which has no order parameter to distinguish between the HS and LS states, correlates with the optical-gap jump and with the insulator-semiconductor transition in the crystal. Based on a theoretical many-electron model, an explanation of this effect at high pressures is proposed. C1 Russian Acad Sci, Shubnikov Inst Crystallog, Moscow 119333, Russia. Russian Acad Sci, Inst High Pressure Phys, Troitsk 142190, Moscow Region, Russia. Carnegie Inst Washington, Geophys Lab, Washington, DC 20015 USA. Russian Acad Sci, Siberian Div, Kirenskii Inst Phys, Krasnoyarsk 660036, Russia. Argonne Natl Lab, Argonne, IL 60439 USA. RP Lyubutin, IS (reprint author), Russian Acad Sci, Shubnikov Inst Crystallog, Moscow 119333, Russia. EM lyubutin@ns.crys.ras.ru RI Struzhkin, Viktor/J-9847-2013; Gavriliuk, Alexander/G-1317-2011 OI Struzhkin, Viktor/0000-0002-3468-0548; Gavriliuk, Alexander/0000-0003-0604-586X NR 26 TC 21 Z9 21 U1 0 U2 8 PU MAIK NAUKA/INTERPERIODICA/SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013-1578 USA SN 0021-3640 J9 JETP LETT+ JI Jetp Lett. PD NOV 10 PY 2006 VL 84 IS 9 BP 518 EP 523 DI 10.1134/S0021364006210119 PG 6 WC Physics, Multidisciplinary SC Physics GA 129LP UT WOS:000243731300011 ER PT J AU Schwender, J Shachar-Hill, Y Ohlrogge, JB AF Schwender, Jorg Shachar-Hill, Yair Ohlrogge, John B. TI Mitochondrial metabolism in developing embryos of Brassica napus SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID MAIZE ROOT-TIPS; CHROMATOGRAPHY-MASS-SPECTROMETRY; NUCLEAR-MAGNETIC-RESONANCE; FATTY-ACID SYNTHESIS; ATP-CITRATE LYASE; PHOSPHOENOLPYRUVATE CARBOXYLASE; OILSEED RAPE; PYRUVATE-KINASE; VICIA-NARBONENSIS; DEVELOPING SEEDS AB The metabolism of developing plant seeds is directed toward transforming primary assimilatory products ( sugars and amino acids) into seed storage compounds. To understand the role of mitochondria in this metabolism, metabolic fluxes were determined in developing embryos of Brassica napus. After labeling with [1,2-C-13(2)] glucose + [U-C-13(6)] glucose, [U-C-13(3)] alanine, [U-C-13(5)] glutamine, [N-15] alanine, (amino)-[N-15] glutamine, or (amide)-[N-15] glutamine, the resulting labeling patterns in protein amino acids and in fatty acids were analyzed by gas chromatographymass spectrometry. Fluxes through mitochondrial metabolism were quantified using a steady state flux model. Labeling information from experiments using different labeled substrates was essential for model validation and reliable flux estimation. The resulting flux map shows that mitochondrial metabolism in these developing seeds is very different from that in either heterotrophic or autotrophic plant tissues or in most other organisms: (i) flux around the tricarboxylic acid cycle is absent and the small fluxes through oxidative reactions in the mitochondrion can generate (via oxidative phosphorylation) at most 22% of the ATP needed for biosynthesis; (ii) isocitrate dehydrogenase is reversible in vivo; (iii) about 40% of mitochondrial pyruvate is produced by malic enzyme rather than being imported from the cytosol; (iv) mitochondrial flux is largely devoted to providing precursors for cytosolic fatty acid elongation; and (v) the uptake of amino acids rather than anaplerosis via PEP carboxylase determines carbon flow into storage proteins. C1 Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. Michigan State Univ, Dept Plant Biol, E Lansing, MI 48824 USA. RP Schwender, J (reprint author), Brookhaven Natl Lab, Dept Biol, Bldg 463, Upton, NY 11973 USA. EM Schwender@BNL.gov RI Shachar-Hill, Yair/B-6165-2013; Schwender, Jorg/P-2282-2014 OI Shachar-Hill, Yair/0000-0001-8793-5084; Schwender, Jorg/0000-0003-1350-4171 NR 49 TC 136 Z9 137 U1 5 U2 32 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 0021-9258 J9 J BIOL CHEM JI J. Biol. Chem. PD NOV 10 PY 2006 VL 281 IS 45 BP 34040 EP 34047 DI 10.1074/jbc.M606266200 PG 8 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 101UZ UT WOS:000241767600024 PM 16971389 ER PT J AU Augustus, AM Reardon, PN Heller, WT Spicer, LD AF Augustus, Anne Marie Reardon, Patrick N. Heller, William T. Spicer, Leonard D. TI Structural basis for the differential regulation of DNA by the methionine repressor MetJ SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID ESCHERICHIA-COLI; S-ADENOSYLMETHIONINE; OPERATOR BINDING; SCATTERING; GENE; BIOSYNTHESIS; RECOGNITION; COREPRESSOR; EVOLUTION; REVEALS AB The Met regulon in Escherichia coli encodes several proteins responsible for the biosynthesis of methionine. Regulation of the expression of most of these proteins is governed by the methionine repressor protein MetJ and its co-repressor, the methionine derivative S-adenosylmethionine. Genes controlled by MetJ contain from two to five sequential copies of a homologous 8-bp sequence called the metbox. A crystal structure for one of the complexes, the repressor tetramer bound to two metboxes, has been reported (Somers, W. S., and S. E. Phillips (1992) Nature 359, 387 - 393), but little structural work on the larger assemblies has been done presumably because of the difficulties in crystallization and the variability in the number and sequences of metboxes for the various genes. Small angle neutron scattering was used to study complexes of MetJ and S-adenosylmethionine with double-stranded DNA containing two, three, and five metboxes. Our results demonstrate that the crystal structure of the two-metbox complex is not the native solution conformation of the complex. Instead, the system adopts a less compact conformation in which there is decreased interaction between the adjacent MetJ dimers. Models built of the higher order complexes from the scattering data show that the three-metbox complex is organized much like the two-metbox complex. However, the five-metbox complex differs significantly from the smaller complexes, providing much closer packing of the adjacent MetJ dimers and allowing additional contacts not available in the crystal structure. The results suggest that there is a structural basis for the differences observed in the regulatory effectiveness of MetJ for the various genes of the Met regulon. C1 Oak Ridge Natl Lab, Ctr Struct Mol Biol, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. Duke Univ, Dept Biochem, Durham, NC 27710 USA. Duke Univ, Med Ctr, Dept Radiol, Durham, NC 27710 USA. RP Heller, WT (reprint author), Oak Ridge Natl Lab, Ctr Struct Mol Biol, POB 2008,MS-6142, Oak Ridge, TN 37831 USA. EM hellerwt@ornl.gov; spicer@biochem.duke.edu OI Reardon, Patrick/0000-0002-6858-0086 NR 25 TC 16 Z9 16 U1 1 U2 9 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 0021-9258 J9 J BIOL CHEM JI J. Biol. Chem. PD NOV 10 PY 2006 VL 281 IS 45 BP 34269 EP 34276 DI 10.1074/jbc.M605763200 PG 8 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 101UZ UT WOS:000241767600047 PM 16963446 ER PT J AU Chow, WW Waldmueller, I AF Chow, W. W. Waldmueller, I. TI Active photonic lattices: is greater than blackbody intensity possible? SO JOURNAL OF MODERN OPTICS LA English DT Article; Proceedings Paper CT 36th Winter Colloquium on Physics of Quantum Electronics CY JAN 02-06, 2006 CL Snowbird, UT AB The emission from a radiating source embedded in a photonic lattice is investigated. The photonic lattice spectrum was found to deviate from the blackbody distribution, with intracavity emission suppressed at certain frequencies and significantly enhanced at others. For rapid population relaxation, where the photonic lattice and blackbody populations are described by the same thermal distribution, it was found that the enhancement does not result in output intensities exceeding those of the blackbody. However, for slow population relaxation, the photonic lattice population has a greater tendency to deviate from thermal equilibrium, resulting in output intensities exceeding those of the blackbody. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Chow, WW (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM wwchow@sandia.gov RI Montano, Ines/I-7497-2012 NR 10 TC 0 Z9 0 U1 0 U2 1 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0950-0340 J9 J MOD OPTIC JI J. Mod. Opt. PD NOV 10 PY 2006 VL 53 IS 16-17 BP 2371 EP 2376 DI 10.1080/09500340600952044 PG 6 WC Optics SC Optics GA 098WD UT WOS:000241552600014 ER PT J AU Choo, H Liaw, PK Hubbard, CR Wang, XL AF Choo, Hahn Liaw, Peter K. Hubbard, Camden R. Wang, Xun-Li TI Special issue on "Neutron diffraction characterization of mechanical behavior" SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Editorial Material C1 Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA. RP Choo, H (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM hchoo@utk.edu RI Wang, Xun-Li/C-9636-2010; Choo, Hahn/A-5494-2009 OI Wang, Xun-Li/0000-0003-4060-8777; Choo, Hahn/0000-0002-8006-8907 NR 0 TC 0 Z9 0 U1 0 U2 1 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD NOV 10 PY 2006 VL 437 IS 1 SI SI BP 1 EP 1 DI 10.1016/msea.2006.04.046 PG 1 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 103PG UT WOS:000241898600001 ER PT J AU Pang, JWL Rogge, RB Donaberger, RL AF Pang, J. W. L. Rogge, R. B. Donaberger, R. L. TI Effects of grain size on intergranular strain evolution in Ni SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article; Proceedings Paper CT TMS Annual Meeting and Exhibition CY FEB 13-16, 2005 CL San Francisco, CA SP TMS DE deformation; grain size; neutron diffraction ID ZIRCALOY-2; STRESSES; GENERATION; STEEL AB Experiments on 99% pure Ni samples have been carried out to investigate the dependence of deformation on grain size. The accumulated strains and texture changes within the grains over the sampling volume were measured by neutron diffraction as a function of (h k 1) reflections and sample orientations with respect to the tensile axis. Inhomogeneous developments of strain are found. Large tensile lattice strain was found for reflection (2 0 0) in the direction parallel to the loading axis. Sample of smaller grain size displays larger strain magnitude. The overall trend of the lattice strain development predicted by the elasto-plastic self-consistent model agrees with the experiment to within 30% and 50% for the small grain and large grain samples, respectively. (c) 2006 Elsevier B.V. All rights reserved. C1 Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. CNR, Steacie Inst Mol Sci, Chalk River, ON K0J 1J0, Canada. RP Pang, JWL (reprint author), Oak Ridge Natl Lab, Div Met & Ceram, POB 2008, Oak Ridge, TN 37831 USA. EM pangj@ornl.gov NR 9 TC 4 Z9 4 U1 0 U2 1 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD NOV 10 PY 2006 VL 437 IS 1 SI SI BP 21 EP 25 DI 10.1016/j.msea.2006.04.056 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 103PG UT WOS:000241898600004 ER PT J AU Holden, TM Suzuki, H Carr, DG Ripley, MI Clausen, B AF Holden, T. M. Suzuki, H. Carr, D. G. Ripley, M. I. Clausen, B. TI Stress measurements in welds: Problem areas SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article; Proceedings Paper CT TMS Annual Meeting and Exhibition CY FEB 13-16, 2005 CL San Francisco, CA SP TMS DE neutron diffraction; welds; d(0) reference coupons ID NEUTRON-DIFFRACTION; ELASTIC-CONSTANTS; SINGLE-CRYSTALS; RESIDUAL-STRESS; DEPENDENCE AB There have been many stress measurements on welds by neutron diffraction over the past 20 years but there are still a number of serious experimental issues that are often not addressed. The primary fact is that the microstructure generally changes across the weld and accompanying this may be a change in the concentration of strengthening elements in solution. This will lead to a shift in lattice spacing which may be incorrectly interpreted as a strain. Secondly, a gradient of plastic deformation near the weld may be expected. Since plastic deformation by application of a stress always generates intergranular (type-2) strains this may lead to a range of intergranular effects superposed on the conventional weld-related strains. The effects are illustrated by neutron diffraction studies of Zr-4, ferritic and austenitic welds where chemistry, intergranular effects and crystallographic texture can all play a role. (c) 2006 Elsevier B.V. All rights reserved. C1 Australian Sci & Technol Org, Lucas Heights, NSW, Australia. No Stress Technol, Deep River, ON K0J 1P0, Canada. Japan Atom Energy Inst, Tokai, Ibaraki, Japan. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Carr, DG (reprint author), Australian Sci & Technol Org, Lucas Heights, NSW, Australia. EM david.carr@ansto.gov.au RI Carr, David/G-2530-2010; Clausen, Bjorn/B-3618-2015 OI Carr, David/0000-0003-1134-5496; Clausen, Bjorn/0000-0003-3906-846X NR 11 TC 21 Z9 22 U1 0 U2 5 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD NOV 10 PY 2006 VL 437 IS 1 SI SI BP 33 EP 37 DI 10.1016/j.msea.2006.04.055 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 103PG UT WOS:000241898600006 ER PT J AU Woo, W Choo, H Brown, DW Feng, Z Liaw, PK AF Woo, Wanchuck Choo, Hahn Brown, Donald W. Feng, Zhili Liaw, Peter K. TI Angular distortion and through-thickness residual stress distribution in the friction-stir processed 6061-T6 aluminum alloy SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article; Proceedings Paper CT TMS Annual Meeting and Exhibition CY FEB 13-16, 2005 CL San Francisco, CA SP TMS DE angular distortion; residual stress; neutron diffraction; aluminum alloys; friction-stir processing ID WELDS; MICROSTRUCTURE; DEFORMATION; BEHAVIOR AB Residual stresses were measured through the thickness of friction-stir processed (FSP) 6061-T6 aluminum-alloy plates using neutron diffraction. Two different specimens were prepared to study the relationship between residual stress distributions through the thickness of the plate and angular distortion: (Case 1) a plate processed with both stirring pin and too] shoulder, i.e., a typical FSP plate subjected to both plastic deformation and frictional heat, and (Case 2) a plate processed only with the tool shoulder, i.e., subjected mainly to the frictional heating. The measured residual stress profiles show relatively small through-thickness residual stress variations in Case 1, while there is a significant through-thickness residual stress variations in Case 2. The main cause of the geometric angular distortion could be related to the non-uniform distribution of the frictional heat generated by the tool shoulder leading to the asymmetric distributions of the residual stress through the thickness of the FSP plate. (c) 2006 Published by Elsevier B.V. C1 Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37830 USA. Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Choo, H (reprint author), Univ Tennessee, Dept Mat Sci & Engn, 319 Dougherty Engn Bldg, Knoxville, TN 37996 USA. EM hchoo@utk.edu RI Choo, Hahn/A-5494-2009; Feng, Zhili/H-9382-2012; OI Choo, Hahn/0000-0002-8006-8907; Feng, Zhili/0000-0001-6573-7933; WOO, Wanchuck/0000-0003-0350-5357 NR 17 TC 35 Z9 36 U1 1 U2 13 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD NOV 10 PY 2006 VL 437 IS 1 SI SI BP 64 EP 69 DI 10.1016/j.msea.2006.04.066 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 103PG UT WOS:000241898600011 ER PT J AU Tang, F Hubbard, CR Sarma, G Keiser, J AF Tang, Fei Hubbard, Camden R. Sarma, Gorti Keiser, James TI Residual strain distribution in bent composite boiler tubes SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article; Proceedings Paper CT TMS Annual Meeting and Exhibition CY FEB 13-16, 2005 CL San Francisco, CA SP TMS DE residual stresses; neutron diffraction; heat treatment ID RECOVERY BOILERS AB Kraft recovery boilers are typically constructed of carbon steel boiler tubes clad with a corrosion resistant layer, and these composite tubes are bent and welded together to form air port panels which enable the combustion air to enter the boiler. In this paper, the through-thickness residual strain in the carbon steel layer of non-heat-treated and heat-treated composite bent tubes were measured by neutron diffraction techniques and modeled by finite element modeling. The results can be used to optimize material selection and manufacturing processes to prevent stress corrosion and corrosion fatigue cracking in the boiler tubes. (c) 2006 Published by Elsevier B.V. C1 Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Comp & Computat Sci Div, Oak Ridge, TN 37831 USA. RP Tang, F (reprint author), Oak Ridge Natl Lab, Div Met & Ceram, POB 2008, Oak Ridge, TN 37831 USA. EM tangf@ornl.gov NR 7 TC 0 Z9 0 U1 0 U2 1 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD NOV 10 PY 2006 VL 437 IS 1 SI SI BP 83 EP 87 DI 10.1016/j.msea.2006.04.050 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 103PG UT WOS:000241898600014 ER PT J AU Ice, GE Hubbard, CR Larson, BC Pang, JWL Budai, JD Spooner, S Vogel, SC Rogge, RB Fox, JH Donaberger, RL AF Ice, G. E. Hubbard, C. R. Larson, B. C. Pang, J. W. L. Budai, J. D. Spooner, S. Vogel, S. C. Rogge, R. B. Fox, J. H. Donaberger, R. L. TI High-performance Kirkpatrick-Baez supermirrors for neutron milli- and micro-beams SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article; Proceedings Paper CT TMS Annual Meeting and Exhibition CY FEB 13-16, 2005 CL San Francisco, CA SP TMS DE KB supermirror; imaging; neutron; focusing AB High-performance Kirkpatrick-Baez (KB) neutron supermirror optics can nondispersively image neutrons to small spots. Ray tracing finds that under many conditions, KB mirrors work near the theoretical limit set by source brilliance and can deliver orders of magnitude greater intensities than is possible with conventional (nonfocusing) neutron optics. In general, KB neutron supermirrors are preferred when the required beam size at the sample is small and when the distance between the optics and the sample is not small. Waveguides with beam definings slits are preferred for very short wavelengths, for big beams and when the slits can be placed very close to the sample. For example, for), lambda - 0.1 nm, if the distance from the last optical element to the sample is - 100 nun, almost two orders of magnitude greater intensity can be focused onto a 100 mu m spot with M = 3 KB supermirrors than with a beam guide and symmetric slits. This is independent of whether the beam guide collimates or condenses the beam so long as without slits the beam is larger than the acceptable beam size at the sample. We describe the ray tracing and phase space arguments that support the use of KB supermirrors for producing intense small beams and describe the performance of a prototype KB device which achieved a 89 mu m x 90 mu m focus. We briefly describe even more advanced methods that can increase the beam divergence on the sample while maintaining a small beam. (c) 2006 Elsevier B.V. All rights reserved. C1 Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. Los Alamos Natl Lab, LANSCE, Los Alamos, NM USA. NRC, Chalk River, ON, Canada. RP Ice, GE (reprint author), Oak Ridge Natl Lab, Div Met & Ceram, POB 2008, Oak Ridge, TN 37831 USA. EM icege@ornl.gov RI Lujan Center, LANL/G-4896-2012; Budai, John/R-9276-2016; OI Budai, John/0000-0002-7444-1306; Vogel, Sven C./0000-0003-2049-0361 NR 6 TC 17 Z9 17 U1 0 U2 7 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD NOV 10 PY 2006 VL 437 IS 1 SI SI BP 120 EP 125 DI 10.1016/j.msea.2006.04.096 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 103PG UT WOS:000241898600020 ER PT J AU Liaw, PK Choo, H Buchanan, RA Hubbard, CR Wang, XL AF Liaw, P. K. Choo, H. Buchanan, R. A. Hubbard, C. R. Wang, X. L. TI Development of an in situ neutron-scattering facility for research and education in the mechanical behavior of materials SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article; Proceedings Paper CT TMS Annual Meeting and Exhibition CY FEB 13-16, 2005 CL San Francisco, CA SP TMS DE neutron; mechanical behavior; in situ ID CHANNEL ANGULAR EXTRUSION; WROUGHT MAGNESIUM ALLOYS; METAL-MATRIX COMPOSITES; RESIDUAL-STRESSES; DIFFRACTION MEASUREMENTS; STAINLESS-STEEL; CRYSTALLOGRAPHIC TEXTURE; INTERGRANULAR STRAINS; PLASTIC-DEFORMATION; SUPERELASTIC NITI AB The present work is to establish a suite of instruments for studying the mechanical behavior of advanced materials using in situ neutron-scattering at the impending Spallation Neutron Source (SNS, The Oak Ridge National Laboratory), which will provide the most intense pulsed-neutron source in the world. The state-of-the-art in situ and real-time characterization instrumentation will be developed for VULCAN at SNS. The VULCAN diffractometer is designed to conduct fundamental studies in materials science and engineering with a focus on the mechanical behavior. The instrumentation described here will enable VULCAN to fulfill its full potential. The characterization capabilities to be developed will far surpass anything else available in the world. The simultaneous neutron diffraction and small-angle neutron-scattering (SANS) during mechanical testing will have a tremendous impact on the fundamental understanding of the mechanical behavior of materials. The successful development of the present instrumentation will give materials scientists many new and valuable capabilities for the fundamental study of advanced materials with complex multi-phase/-scale microstructures and various sizes/types (1) under large static/dynamic mechanical loads (including tension, compression, and torsion, i.e., real-world conditions), (2) at high temperatures, and/or (3) under chemical environments. Moreover, such capabilities will allow engineers to probe the behavior of materials and components under realistic operating and processing conditions. (c) 2006 Elsevier B.V. All rights reserved. C1 Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Liaw, PK (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM liaw@utkux.utcc.utk.edu RI Wang, Xun-Li/C-9636-2010; Choo, Hahn/A-5494-2009 OI Wang, Xun-Li/0000-0003-4060-8777; Choo, Hahn/0000-0002-8006-8907 NR 57 TC 8 Z9 8 U1 1 U2 18 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD NOV 10 PY 2006 VL 437 IS 1 SI SI BP 126 EP 133 DI 10.1016/j.msea.2006.04.097 PG 8 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 103PG UT WOS:000241898600021 ER PT J AU Hartig, C Vogel, SC Mecking, H AF Hartig, Ch. Vogel, S. C. Mecking, H. TI In-situ measurement of texture and elastic strains with HIPPO-CRATES SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article; Proceedings Paper CT TMS Annual Meeting and Exhibition CY FEB 13-16, 2005 CL San Francisco, CA SP TMS DE micromechanical interaction; elastic and plastic deformation; locally acting internal stresses; texture and crystal lattice spacings; CRATES ID DEFORMATION MODES; ROLLING TEXTURES; MAGNESIUM ALLOY; POLYCRYSTALS; DIFFRACTOMETER AB In this paper, the micromechanical interaction between constituents of a metallic material during elastic and plastic deformation are analyzed by comparing experimental results with modeling predictions. This comparison aims at determining the locally acting internal stresses, the spatial distribution of strains and the rules allowing deriving the macroscopic behavior of the material from the behavior of its microscopic constituents. We report the application of a new deformation apparatus CRATES, which allows measuring texture and crystal lattice spacings, and from these crystal lattice strains, using neutron diffraction. From the in-situ measured elastic lattice strains epsilon(hkl) the corresponding local stresses can be derived. The deformation apparatus allows uni-axial tensile or compressive deformation up to 100 kN and is specifically designed for use in the HIPPO neutron time-of-flight diffractometer. In this paper, we report initial results on an iron-copper model system (Fe100, Fe33Cu67, Fe67Cu33, vol.%) and commercial magnesium alloys (Mg-AZ31 and Mg-A-Z80). Finite element calculations using a crystal-plastic constitutive law, allowing for shear and hardening of crystallographic slip-systems, were used for the interpretation of the measurements. (c) 2006 Elsevier B.V. All rights reserved. C1 Tech Univ Hamburg, D-21073 Hamburg, Germany. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Hartig, C (reprint author), Tech Univ Hamburg, D-21073 Hamburg, Germany. EM hartig@tu-harburg.de RI Hartig, Christian/F-4673-2010; Lujan Center, LANL/G-4896-2012; OI Vogel, Sven C./0000-0003-2049-0361 NR 14 TC 5 Z9 5 U1 0 U2 5 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD NOV 10 PY 2006 VL 437 IS 1 SI SI BP 145 EP 150 DI 10.1016/j.msesa.2006.04.070 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 103PG UT WOS:000241898600024 ER PT J AU Abulencia, A Acosta, D Adelman, J Affolder, T Akimoto, T Albrow, MG Ambrose, D Amerio, S Amidei, D Anastassov, A Anikeev, K Annovi, A Antos, J Aoki, M Apollinari, G Arguin, JF Arisawa, T Artikov, A Ashmanskas, W Attal, A Azfar, F Azzi-Bacchetta, P Azzurri, P Bacchetta, N Bachacou, H Badgett, W Barbaro-Galtieri, A Barnes, VE Barnett, BA Baroiant, S Bartsch, V Bauer, G Bedeschi, F Behari, S Belforte, S Bellettini, G Bellinger, J Belloni, A Ben Haim, E Benjamin, D Beretvas, A Beringer, J Berry, T Bhatti, A Binkley, M Bisello, D Blair, RE Blocker, C Blumenfeld, B Bocci, A Bodek, A Boisvert, V Bolla, G Bolshov, A Bortoletto, D Boudreau, J Boveia, A Brau, B Bromberg, C Brubaker, E Budagov, J Budd, HS Budd, S Burkett, K Busetto, G Bussey, P Byrum, KL Cabrera, S Campanelli, M Campbell, M Canelli, F Canepa, A Carlsmith, D Carosi, R Carron, S Casal, B Casarsa, M Castro, A Catastini, P Cauz, D Cavalli-Sforza, M Cerri, A Cerrito, L Chang, SH Chapman, J Chen, YC Chertok, M Chiarelli, G Chlachidze, G Chlebana, F Cho, I Cho, K Chokheli, D Chou, JP Chu, PH Chuang, SH Chung, K Chung, WH Chung, YS Ciljak, M Ciobanu, CI Ciocci, MA Clark, A Clark, D Coca, M Compostella, G Convery, ME Conway, J Cooper, B Copic, K Cordelli, M Cortiana, G Crescioli, F Cruz, A Almenar, CC Cuevas, J Culbertson, R Cyr, D DaRonco, S D'Auria, S D'Onofrio, M Dagenhart, D de Barbaro, P De Cecco, S Deisher, A De Lentdecker, G Dell'Orso, M Paoli, FD Demers, S Demortier, L Deng, J Deninno, M De Pedis, D Derwent, PF Di Giovanni, GP Di Ruzza, B Dionisi, C Dittmann, JR DiTuro, P Dorr, C Donati, S Donega, M Dong, P Donini, J Dorigo, T Dube, S Ebina, K Efron, J Ehlers, J Erbacher, R Errede, D Errede, S Eusebi, R Fang, HC Farrington, S Fedorko, I Fedorko, WT Feild, RG Feindt, M Fernandez, JP Field, R Flanagan, G Flores-Castillo, LR Foland, A Forrester, S Foster, GW Franklin, M Freeman, JC Frisch, HJ Furic, I Gallinaro, M Galyardt, J Garcia, JE Sciveres, MG Garfinkel, AF Gay, C Gerberich, H Gerdes, D Giagu, S Giannetti, P Gibson, A Gibson, K Ginsburg, C Giokaris, N Giolo, K Giordani, M Giromini, P Giunta, M Giurgiu, G Glagolev, V Glenzinski, D Gold, M Goldschmidt, N Goldstein, J Gomez, G Gomez-Ceballos, G Goncharov, M Gonzalez, O Gorelov, I Goshaw, AT Gotra, Y Goulianos, K Gresele, A Griffiths, M Grinstein, S Grosso-Pilcher, C Group, RC Grundler, U da Costa, JG Gunay-Unalan, Z Haber, C Hahn, SR Hahn, K Halkiadakis, E Hamilton, A Han, BY Han, JY Handler, R Happacher, F Hara, K Hare, M Harper, S Harr, RF Harris, RM Hatakeyama, K Hauser, J Hays, C Heijboer, A Heinemann, B Heinrich, J Herndon, M Hidas, D Hill, CS Hirschbuehl, D Hocker, A Holloway, A Hou, S Houlden, M Hsu, SC Huffman, BT Hughes, RE Huston, J Incandela, J Introzzi, G Iori, M Ishizawa, Y Ivanov, A Iyutin, B James, E Jang, D Jayatilaka, B Jeans, D Jensen, H Jeon, EJ Jindariani, S Jones, M Joo, KK Jun, SY Junk, TR Kamon, T Kang, J Karchin, PE Kato, Y Kemp, Y Kephart, R Kerzel, U Khotilovich, V Kilminster, B Kim, DH Kim, HS Kim, JE Kim, MJ Kim, SB Kim, SH Kim, YK Kirsch, L Klimenko, S Klute, M Knuteson, B Ko, BR Kobayashi, H Kondo, K Kong, DJ Konigsberg, J Korytov, A Kotwal, AV Kovalev, A Kraan, A Kraus, J Kravchenko, I Kreps, M Kroll, J Krumnack, N Kruse, M Krutelyov, V Kuhlmann, SE Kusakabe, Y Kwang, S Laasanen, AT Lai, S Lami, S Lammel, S Lancaster, M Lander, RL Lannon, K Lath, A Latino, G Lazzizzera, I LeCompte, T Lee, J Lee, J Lee, YJ Lee, SW Lefevre, R Leonardo, N Leone, S Levy, S Lewis, JD Lin, C Lin, CS Lindgren, M Lipeles, E Liss, TM Lister, A Litvintsev, DO Liu, T Lockyer, NS Loginov, A Loreti, M Loverre, P Lu, RS Lucchesi, D Lujan, P Lukens, P Lungu, G Lyons, L Lys, J Lysak, R Lytken, E Mack, P MacQueen, D Madrak, R Maeshima, K Maki, T Maksimovic, P Malde, S Manca, G Margaroli, F Marginean, R Marino, C Martin, A Martin, V Martinez, M Maruyama, T Mastrandrea, P Matsunaga, H Mattson, ME Mazini, R Mazzanti, P McFarland, KS McIntyre, P McNulty, R Mehta, A Menzemer, S Menzione, A Merkel, P Mesropian, C Messina, A von der Mey, M Miao, T Miladinovic, N Miles, J Miller, R Miller, JS Mills, C Milnik, M Miquel, R Mitra, A Mitselmakher, G Miyamoto, A Moggi, N Mohr, B Moore, R Morello, M Fernandez, PM Mulmenstadt, J Mukherjee, A Muller, T Mumford, R Murat, P Nachtman, J Naganoma, J Nahn, S Nakano, I Napier, A Naumov, D Necula, V Neu, C Neubauer, MS Nielsen, J Nigmanov, T Nodulman, L Norniella, O Nurse, E Ogawa, T Oh, SH Oh, YD Okusawa, T Oldeman, R Orava, R Osterberg, K Pagliarone, C Palencia, E Paoletti, R Papadimitriou, V Paramonov, AA Parks, B Pashapour, S Patrick, J Pauletta, G Paulini, M Paus, C Pellett, DE Penzo, A Phillips, TJ Piacentino, G Piedra, J Pinera, L Pitts, K Plager, C Pondrom, L Portell, X Poukhov, O Pounder, N Prakoshyn, F Pronko, A Proudfoot, J Ptohos, F Punzi, G Pursley, J Rademacker, J Rahaman, A Rakitin, A Rappoccio, S Ratnikov, F Reisert, B Rekovic, V van Remortel, N Renton, P Rescigno, M Richter, S Rimondi, F Ristori, L Robertson, WJ Robson, A Rodrigo, T Rogers, E Rolli, S Roser, R Rossi, M Rossin, R Rott, C Ruiz, A Russ, J Rusu, V Saarikko, H Sabik, S Safonov, A Sakumoto, WK Salamanna, G Salto, O Saltzberg, D Sanchez, C Santi, L Sarkar, S Sartori, L Sato, K Savard, P Savoy-Navarro, A Scheidle, T Schlabach, P Schmidt, EE Schmidt, MP Schmitt, M Schwarz, T Scodellaro, L Scott, AL Scribano, A Scuri, F Sedov, A Seidel, S Seiya, Y Semenov, A Sexton-Kennedy, L Sfiligoi, I Shapiro, MD Shears, T Shepard, PF Sherman, D Shimojima, M Shochet, M Shon, Y Shreyber, I Sidoti, A Sinervo, P Sisakyan, A Sjolin, J Skiba, A Slaughter, AJ Sliwa, K Smith, JR Snider, FD Snihur, R Soderberg, M Soha, A Somalwar, S Sorin, V Spalding, J Spezziga, M Spinella, F Spreitzer, T Squillacioti, P Stanitzki, M Staveris-Polykalas, A Denis, RS Stelzer, B Stelzer-Chilton, O Stentz, D Strologas, J Stuart, D Suh, JS Sukhanov, A Sumorok, K Sun, H Suzuki, T Taffard, A Takashima, R Takeuchi, Y Takikawa, K Tanaka, M Tanaka, R Tanimoto, N Tecchio, M Teng, PK Terashi, K Tether, S Thom, J Thompson, AS Thomson, E Tipton, P Tiwari, V Tkaczyk, S Toback, D Tokar, S Tollefson, K Tomura, T Tonelli, D Tonnesmann, M Torre, S Torretta, D Tourneur, S Trischuk, W Tsuchiya, R Tsuno, S Turini, N Ukegawa, F Unverhau, T Uozumi, S Usynin, D Vaiciulis, A Vallecorsa, S Varganov, A Vataga, E Velev, G Veramendi, G Veszpremi, V Vidal, R Vila, I Vilar, R Vine, T Vollrath, I Volobouev, I Volpi, G Wurthwein, F Wagner, P Wagner, RG Wagner, RL Wagner, W Wallny, R Walter, T Wan, Z Wang, SM Warburton, A Waschke, S Waters, D Wester, WC Whitehouse, B Whiteson, D Wicklund, AB Wicklund, E Williams, G Williams, HH Wilson, P Winer, BL Wittich, P Wolbers, S Wolfe, C Wright, T Wu, X Wynne, SM Yagil, A Yamamoto, K Yamaoka, J Yamashita, T Yang, C Yang, UK Yang, YC Yao, WM Yeh, GP Yoh, J Yorita, K Yoshida, T Yu, GB Yu, I Yu, SS Yun, JC Zanello, L Zanetti, A Zaw, I Zetti, F Zhang, X Zhou, J Zucchelli, S AF Abulencia, A. Acosta, D. Adelman, J. Affolder, T. Akimoto, T. Albrow, M. G. Ambrose, D. Amerio, S. Amidei, D. Anastassov, A. Anikeev, K. Annovi, A. Antos, J. Aoki, M. Apollinari, G. Arguin, J. -F. Arisawa, T. Artikov, A. Ashmanskas, W. Attal, A. Azfar, F. Azzi-Bacchetta, P. Azzurri, P. Bacchetta, N. Bachacou, H. Badgett, W. Barbaro-Galtieri, A. Barnes, V. E. Barnett, B. A. Baroiant, S. Bartsch, V. Bauer, G. Bedeschi, F. Behari, S. Belforte, S. Bellettini, G. Bellinger, J. Belloni, A. Ben Haim, E. Benjamin, D. Beretvas, A. Beringer, J. Berry, T. Bhatti, A. Binkley, M. Bisello, D. Blair, R. E. Blocker, C. Blumenfeld, B. Bocci, A. Bodek, A. Boisvert, V. Bolla, G. Bolshov, A. Bortoletto, D. Boudreau, J. Boveia, A. Brau, B. Bromberg, C. Brubaker, E. Budagov, J. Budd, H. S. Budd, S. Burkett, K. Busetto, G. Bussey, P. Byrum, K. L. Cabrera, S. Campanelli, M. Campbell, M. Canelli, F. Canepa, A. Carlsmith, D. Carosi, R. Carron, S. Casal, B. Casarsa, M. Castro, A. Catastini, P. Cauz, D. Cavalli-Sforza, M. 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CA CDF Collaboration TI Search for excited and exotic muons in the mu gamma decay channel in p(p)over-bar collisions root s=1.96 TeV SO PHYSICAL REVIEW LETTERS LA English DT Article ID CDF PLUG UPGRADE; HADRON COLLIDERS; E(+)E(-) COLLISIONS; LEPTON PRODUCTION; DETECTOR; CALORIMETER; GENERATION; COUPLINGS; PHYSICS AB We search for excited and exotic muon states mu(*) using an integrated luminosity of 371 pb(-1) of p (p) over bar collision data at root s=1.96 TeV. We search for associated production of mu mu(*) followed by the decay mu(*)->mu gamma. We compare the data to model predictions as a function of the mass of the excited muon M-mu(*), the compositeness energy scale Lambda, and the gauge coupling factor f. No signal above the standard model expectation is observed. We exclude 107 < M-mu(*)< 853 GeV/c(2) for Lambda=M-mu(*) in the contact interaction model, and 100 < M-mu(*)< 410 GeV/c(2) for f/Lambda=10(-2) GeV-1 in the gauge-mediated model, both at the 95% confidence level. 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Michigan State Univ, E Lansing, MI 48824 USA. Inst Theoret & Expt Phys, Moscow 117259, Russia. Univ New Mexico, Albuquerque, NM 87131 USA. Northwestern Univ, Evanston, IL 60208 USA. Ohio State Univ, Columbus, OH 43210 USA. Okayama Univ, Okayama 7008530, Japan. Osaka City Univ, Osaka 588, Japan. Univ Oxford, Oxford OX1 3RH, England. Univ Padua, Ist Nazl Fis Nucl, Sez Padua Trento, I-35131 Padua, Italy. Univ Paris 06, LPNHE, IN2P3, CNRS,UMR 7585, F-75252 Paris, France. Univ Penn, Philadelphia, PA 19104 USA. Scuola Normale Super Pisa, I-56127 Pisa, Italy. Univ Pisa, Ist Nazl Fis Nucl Pisa, Siena, Italy. Univ Pittsburgh, Pittsburgh, PA 15260 USA. Purdue Univ, W Lafayette, IN 47907 USA. Univ Rochester, Rochester, NY 14627 USA. Rockefeller Univ, New York, NY 10021 USA. Univ Roma La Sapienza, Ist Nazl Fis Nucl, Sez Roma 1, I-00185 Rome, Italy. Rutgers State Univ, Piscataway, NJ 08855 USA. Texas A&M Univ, College Stn, TX 77843 USA. Univ Trieste, Ist Nazl Fis Nucl, Udine, Italy. Univ Tsukuba, Tsukuba, Ibaraki 305, Japan. Tufts Univ, Medford, MA 02155 USA. Waseda Univ, Tokyo 169, Japan. Wayne State Univ, Detroit, MI 48201 USA. Univ Wisconsin, Madison, WI 53706 USA. Yale Univ, New Haven, CT 06520 USA. RP Abulencia, A (reprint author), Univ Illinois, Urbana, IL 61801 USA. RI Ruiz, Alberto/E-4473-2011; Robson, Aidan/G-1087-2011; Amerio, Silvia/J-4605-2012; Punzi, Giovanni/J-4947-2012; messina, andrea/C-2753-2013; Annovi, Alberto/G-6028-2012; Ivanov, Andrew/A-7982-2013; Warburton, Andreas/N-8028-2013; Kim, Soo-Bong/B-7061-2014; De Cecco, Sandro/B-1016-2012; St.Denis, Richard/C-8997-2012; Azzi, Patrizia/H-5404-2012; manca, giulia/I-9264-2012; Lysak, Roman/H-2995-2014; Scodellaro, Luca/K-9091-2014; Russ, James/P-3092-2014; unalan, zeynep/C-6660-2015; Lazzizzera, Ignazio/E-9678-2015; Cabrera Urban, Susana/H-1376-2015; Garcia, Jose /H-6339-2015; ciocci, maria agnese /I-2153-2015; Cavalli-Sforza, Matteo/H-7102-2015; Muelmenstaedt, Johannes/K-2432-2015; Introzzi, Gianluca/K-2497-2015; Gorelov, Igor/J-9010-2015; Prokoshin, Fedor/E-2795-2012; Leonardo, Nuno/M-6940-2016; Canelli, Florencia/O-9693-2016 OI Ruiz, Alberto/0000-0002-3639-0368; Punzi, Giovanni/0000-0002-8346-9052; Annovi, Alberto/0000-0002-4649-4398; Ivanov, Andrew/0000-0002-9270-5643; Warburton, Andreas/0000-0002-2298-7315; Azzi, Patrizia/0000-0002-3129-828X; Scodellaro, Luca/0000-0002-4974-8330; Russ, James/0000-0001-9856-9155; unalan, zeynep/0000-0003-2570-7611; Lazzizzera, Ignazio/0000-0001-5092-7531; ciocci, maria agnese /0000-0003-0002-5462; Muelmenstaedt, Johannes/0000-0003-1105-6678; Introzzi, Gianluca/0000-0002-1314-2580; Gorelov, Igor/0000-0001-5570-0133; Prokoshin, Fedor/0000-0001-6389-5399; Leonardo, Nuno/0000-0002-9746-4594; Canelli, Florencia/0000-0001-6361-2117 NR 40 TC 12 Z9 12 U1 1 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD NOV 10 PY 2006 VL 97 IS 19 AR 191802 DI 10.1103/PhysRevLett.97.191802 PG 7 WC Physics, Multidisciplinary SC Physics GA 104LW UT WOS:000241960900021 ER PT J AU Bousso, R AF Bousso, Raphael TI Holographic probabilities in eternal inflation SO PHYSICAL REVIEW LETTERS LA English DT Article AB In the global description of eternal inflation, probabilities for vacua are notoriously ambiguous. The local point of view is preferred by holography and naturally picks out a simple probability measure. It is insensitive to large expansion factors or lifetimes and so resolves a recently noted paradox. Any cosmological measure must be complemented with the probability for observers to emerge in a given vacuum. In lieu of anthropic criteria, I propose to estimate this by the entropy that can be produced in a local patch. This allows for prior-free predictions. C1 Univ Calif Berkeley, Dept Phys, Ctr Theoret Phys, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Bousso, R (reprint author), Univ Calif Berkeley, Dept Phys, Ctr Theoret Phys, Berkeley, CA 94720 USA. NR 20 TC 113 Z9 113 U1 0 U2 0 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD NOV 10 PY 2006 VL 97 IS 19 AR 191302 DI 10.1103/PhysRevLett.97.191302 PG 4 WC Physics, Multidisciplinary SC Physics GA 104LW UT WOS:000241960900016 PM 17155610 ER PT J AU Bulaevskii, LN Chudnovsky, EM AF Bulaevskii, L. N. Chudnovsky, E. M. TI Electromagnetic radiation from vortex flow in type-II superconductors SO PHYSICAL REVIEW LETTERS LA English DT Article ID LATTICE; MOTION; INTERFERENCE; FILMS; VORTICES AB We show that a moving vortex lattice, as it comes to a crystal edge, radiates into a free space the harmonics of the washboard frequency, omega(0)=2 pi v/a, up to a superconducting gap, Delta/h. Here v is the velocity of the vortex lattice and a is the intervortex spacing. We compute radiation power and show that this effect can be used for the generation of terahertz radiation and for characterization of moving vortex lattices. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. CUNY Herbert H Lehman Coll, Dept Phys, Bronx, NY 10468 USA. RP Bulaevskii, LN (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 30 TC 5 Z9 5 U1 0 U2 2 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD NOV 10 PY 2006 VL 97 IS 19 AR 197002 DI 10.1103/PhysRevLett.97.197002 PG 4 WC Physics, Multidisciplinary SC Physics GA 104LW UT WOS:000241960900059 ER PT J AU Horn, T Aniol, K Arrington, J Barrett, B Beise, EJ Blok, HP Boeglin, W Brash, EJ Breuer, H Chang, CC Christy, ME Ent, R Gaskell, D Gibson, E Holt, RJ Huber, GM Jin, S Jones, MK Keppel, CE Kim, W King, PM Kovaltchouk, V Liu, J Lolos, GJ Mack, DJ Margaziotis, DJ Markowitz, P Matsumura, A Meekins, D Miyoshi, T Mkrtchyan, H Niculescu, I Okayasu, Y Pentchev, L Perdrisat, C Potterveld, D Punjabi, V Reimer, P Reinhold, J Roche, J Roos, PG Sarty, A Smith, GR Tadevosyan, V Tang, LG Tvaskis, V Vidakovic, S Volmer, J Vulcan, W Warren, G Wood, SA Xu, C Zheng, X AF Horn, T. Aniol, K. Arrington, J. Barrett, B. Beise, E. J. Blok, H. P. Boeglin, W. Brash, E. J. Breuer, H. Chang, C. C. Christy, M. E. Ent, R. Gaskell, D. Gibson, E. Holt, R. J. Huber, G. M. Jin, S. Jones, M. K. Keppel, C. E. Kim, W. King, P. M. Kovaltchouk, V. Liu, J. Lolos, G. J. Mack, D. J. Margaziotis, D. J. Markowitz, P. Matsumura, A. Meekins, D. Miyoshi, T. Mkrtchyan, H. Niculescu, I. Okayasu, Y. Pentchev, L. Perdrisat, C. Potterveld, D. Punjabi, V. Reimer, P. Reinhold, J. Roche, J. Roos, P. G. Sarty, A. Smith, G. R. Tadevosyan, V. Tang, L. G. Tvaskis, V. Vidakovic, S. Volmer, J. Vulcan, W. Warren, G. Wood, S. A. Xu, C. Zheng, X. CA Jefferson Lab TI Determination of the pion charge form factor at Q(2)=1.60 and 2.45 (GeV/c)(2) SO PHYSICAL REVIEW LETTERS LA English DT Article ID EXCLUSIVE PROCESSES; RESONANCE REGION; QUANTUM CHROMODYNAMICS; ELECTROPRODUCTION; Q2; GEV2; QCD AB The H-1(e,e(')pi(+))n cross section was measured at four-momentum transfers of Q(2)=1.60 and 2.45 GeV2 at an invariant mass of the photon nucleon system of W=2.22 GeV. The charged pion form factor (F-pi) was extracted from the data by comparing the separated longitudinal pion electroproduction cross section to a Regge model prediction in which F-pi is a free parameter. The results indicate that the pion form factor deviates from the charge-radius constrained monopole form at these values of Q(2) by one sigma, but is still far from its perturbative quantum chromodynamics prediction. C1 Univ Maryland, Dept Phys, College Pk, MD 20742 USA. Calif State Univ Los Angeles, Los Angeles, CA 90032 USA. Argonne Natl Lab, Argonne, IL 60439 USA. St Marys Univ, Halifax, NS B3H 3C3, Canada. Vrije Univ Amsterdam, NL-1081 HV Amsterdam, Netherlands. NIKHEF H, NL-1009 DB Amsterdam, Netherlands. Florida Int Univ, Miami, FL 33199 USA. Univ Regina, Regina, SK S4S 0A2, Canada. Hampton Univ, Hampton, VA 23668 USA. Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. Calif State Univ Sacramento, Sacramento, CA 95819 USA. Kyungpook Natl Univ, Taegu 702701, South Korea. Tohoku Univ, Sendai, Miyagi 980, Japan. Yerevan Phys Inst, Yerevan 375036, Armenia. James Madison Univ, Harrisonburg, VA 22807 USA. Coll William & Mary, Williamsburg, VA 23187 USA. Norfolk State Univ, Norfolk, VA 23504 USA. DESY, D-2000 Hamburg, Germany. RP Horn, T (reprint author), Univ Maryland, Dept Phys, College Pk, MD 20742 USA. RI Holt, Roy/E-5803-2011; Arrington, John/D-1116-2012; Reimer, Paul/E-2223-2013; Sarty, Adam/G-2948-2014 OI Arrington, John/0000-0002-0702-1328; NR 23 TC 157 Z9 157 U1 0 U2 3 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD NOV 10 PY 2006 VL 97 IS 19 AR 192001 DI 10.1103/PhysRevLett.97.192001 PG 4 WC Physics, Multidisciplinary SC Physics GA 104LW UT WOS:000241960900022 PM 17155616 ER PT J AU Koushiappas, SM AF Koushiappas, Savvas M. TI Proper motion of gamma rays from microhalo sources SO PHYSICAL REVIEW LETTERS LA English DT Article ID DARK-MATTER; HALOS AB I discuss the prospects of detecting the smallest dark matter bound structures present in the Milky Way by searching for the proper motion of gamma-ray sources in the upcoming Gamma Ray Large Area Space Telescope all sky map. I show that for dark matter particle candidates that couple to photons the detection of at least one gamma-ray microhalo source with proper motion places a constraint on the couplings and mass of the dark matter particle. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, ISR 1, ISR Div, Los Alamos, NM 87545 USA. RP Koushiappas, SM (reprint author), Los Alamos Natl Lab, Div Theoret, T-6, Los Alamos, NM 87545 USA. EM smkoush@lanl.gov NR 28 TC 41 Z9 41 U1 0 U2 0 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD NOV 10 PY 2006 VL 97 IS 19 AR 191301 DI 10.1103/PhysRevLett.97.191301 PG 4 WC Physics, Multidisciplinary SC Physics GA 104LW UT WOS:000241960900015 PM 17155609 ER PT J AU Michael, DG Adamson, P Alexopoulos, T Allison, WWM Alner, GJ Anderson, K Andreopoulos, C Andrews, M Andrews, R Arms, KE Armstrong, R Arroyo, C Auty, DJ Avvakumov, S Ayres, DS Baller, B Barish, B Barker, MA Barnes, PD Barr, G Barrett, WL Beall, E Becker, BR Belias, A Bergfeld, T Bernstein, RH Bhattacharya, D Bishai, M Blake, A Bocean, V Bock, B Bock, GJ Boehm, J Boehnlein, DJ Bogert, D Border, PM Bower, C Boyd, S Buckley-Geer, E Bungau, C Byon-Wagner, A Cabrera, A Chapman, JD Chase, TR Cherdack, D Chernichenko, SK Childress, S Choudhary, BC Cobb, JH Cossairt, JD Courant, H Crane, DA Culling, AJ Dawson, JW de Jong, JK DeMuth, DM De Santo, A Dierckxsens, M Diwan, MV Dorman, M Drake, G Drakoulakos, D Ducar, R Durkin, T Erwin, AR Escobar, CO Evans, JJ Fackler, OD Harris, EF Feldman, GJ Felt, N Fields, TH Ford, R Frohne, MV Gallagher, HR Gebhard, M Giurgiu, GA Godley, A Gogos, J Goodman, MC Gornushkin, Y Gouffon, P Gran, R Grashorn, E Grossman, N Grudzinski, JJ Grzelak, K Guarino, V Habig, A Halsall, R Hanson, J Harris, D Harris, PG Hartnell, J Hartouni, EP Hatcher, R Heller, K Hill, N Ho, Y Holin, A Howcroft, C Hylen, J Ignatenko, M Indurthy, D Irwin, GM Ishitsuka, M Jaffe, DE James, C Jenner, L Jensen, D Joffe-Minor, T Kafka, T Kang, HJ Kasahara, SMS Kilmer, J Kim, H Kim, MS Koizumi, G Kopp, S Kordosky, M Koskinen, DJ Kostin, M Kotelnikov, SK Krakauer, DA Kreymer, A Kumaratunga, S Ladran, AS Lang, K Laughton, C Lebedev, A Lee, R Lee, WY Libkind, MA Ling, J Liu, J Litchfield, PJ Litchfield, RP Longley, NP Lucas, P Luebke, W Madani, S Maher, E Makeev, V Mann, WA Marchionni, A Marino, AD Marshak, ML Marshall, JS Mayer, N McDonald, J McGowan, AM Meier, JR Merzon, GI Messier, MD Milburn, RH Miller, JL Miller, WH Mishra, SR Mislivec, A Miyagawa, PS Moore, CD Morfin, J Morse, R Mualem, L Mufson, S Murgia, S Murtagh, MJ Musser, J Naples, D Nelson, C Nelson, JK Newman, HB Nezrick, F Nichol, RJ Nicholls, TC Ochoa-Ricoux, JP Oliver, J Oliver, WP Onuchin, VA Osiecki, T Ospanov, R Paley, J Paolone, V Para, A Patzak, T Pavlovic, Z Pearce, GF Pearson, N Peck, CW Perry, C Peterson, EA Petyt, DA Ping, H Piteira, R Pittam, R Pla-Dalmau, A Plunkett, RK Price, LE Proga, M Pushka, DR Rahman, D Rameika, RA Raufer, TM Read, AL Rebel, B Reichenbacher, J Reyna, DE Rosenfeld, C Rubin, HA Ruddick, K Ryabov, VA Saakyan, R Sanchez, MC Saoulidou, N Schneps, J Schoessow, PV Schreiner, P Schwienhorst, R Semenov, VK Seun, SM Shanahan, P Shield, PD Smart, W Smirnitsky, V Smith, C Smith, PN Sousa, A Speakman, B Stamoulis, P Stefanik, A Sullivan, P Swan, JM Symes, PA Tagg, N Talaga, RL Terekhov, A Tetteh-Lartey, E Thomas, J Thompson, J Thomson, MA Thron, JL Tinti, G Trendler, R Trevor, J Trostin, I Tsarev, VA Tzanakos, G Urheim, J Vahle, P Vakili, M Vaziri, K Velissaris, C Verebryusov, V Viren, B Wai, L Ward, CP Ward, DR Watabe, M Weber, A Webb, RC Wehmann, A West, N White, C White, RF Wojcicki, SG Wright, DM Wu, QK Yan, WG Yang, T Yumiceva, FX Yun, JC Zheng, H Zois, M Zwaska, R AF Michael, D. G. Adamson, P. Alexopoulos, T. Allison, W. W. M. Alner, G. J. Anderson, K. Andreopoulos, C. Andrews, M. Andrews, R. Arms, K. E. Armstrong, R. Arroyo, C. Auty, D. J. Avvakumov, S. Ayres, D. S. Baller, B. Barish, B. Barker, M. A. Barnes, P. D., Jr. Barr, G. Barrett, W. L. Beall, E. Becker, B. R. Belias, A. Bergfeld, T. Bernstein, R. H. Bhattacharya, D. Bishai, M. Blake, A. Bocean, V. Bock, B. Bock, G. J. Boehm, J. Boehnlein, D. J. Bogert, D. Border, P. M. Bower, C. Boyd, S. Buckley-Geer, E. Bungau, C. Byon-Wagner, A. Cabrera, A. Chapman, J. D. Chase, T. R. Cherdack, D. Chernichenko, S. K. Childress, S. Choudhary, B. C. Cobb, J. H. Cossairt, J. D. Courant, H. Crane, D. A. Culling, A. J. Dawson, J. W. de Jong, J. K. DeMuth, D. M. De Santo, A. Dierckxsens, M. Diwan, M. V. Dorman, M. Drake, G. Drakoulakos, D. Ducar, R. Durkin, T. Erwin, A. R. Escobar, C. O. Evans, J. J. Fackler, O. D. Harris, E. Falk Feldman, G. J. Felt, N. Fields, T. H. Ford, R. Frohne, M. V. Gallagher, H. R. Gebhard, M. Giurgiu, G. A. Godley, A. Gogos, J. Goodman, M. C. Gornushkin, Yu. Gouffon, P. Gran, R. Grashorn, E. Grossman, N. Grudzinski, J. J. Grzelak, K. Guarino, V. Habig, A. Halsall, R. Hanson, J. Harris, D. Harris, P. G. Hartnell, J. Hartouni, E. P. Hatcher, R. Heller, K. Hill, N. Ho, Y. Holin, A. Howcroft, C. Hylen, J. Ignatenko, M. Indurthy, D. Irwin, G. M. Ishitsuka, M. Jaffe, D. E. James, C. Jenner, L. Jensen, D. Joffe-Minor, T. Kafka, T. Kang, H. J. Kasahara, S. M. S. Kilmer, J. Kim, H. Kim, M. S. Koizumi, G. Kopp, S. Kordosky, M. Koskinen, D. J. Kostin, M. Kotelnikov, S. K. Krakauer, D. A. Kreymer, A. Kumaratunga, S. Ladran, A. S. Lang, K. Laughton, C. Lebedev, A. Lee, R. Lee, W. Y. Libkind, M. A. Ling, J. Liu, J. Litchfield, P. J. Litchfield, R. P. Longley, N. P. Lucas, P. Luebke, W. Madani, S. Maher, E. Makeev, V. Mann, W. A. Marchionni, A. Marino, A. D. Marshak, M. L. Marshall, J. S. Mayer, N. McDonald, J. McGowan, A. M. Meier, J. R. Merzon, G. I. Messier, M. D. Milburn, R. H. Miller, J. L. Miller, W. H. Mishra, S. R. Mislivec, A. Miyagawa, P. S. Moore, C. D. Morfin, J. Morse, R. Mualem, L. Mufson, S. Murgia, S. Murtagh, M. J. Musser, J. Naples, D. Nelson, C. Nelson, J. K. Newman, H. B. Nezrick, F. Nichol, R. J. Nicholls, T. C. Ochoa-Ricoux, J. P. Oliver, J. Oliver, W. P. Onuchin, V. A. Osiecki, T. Ospanov, R. Paley, J. Paolone, V. Para, A. Patzak, T. Pavlovic, Z. Pearce, G. F. Pearson, N. Peck, C. W. Perry, C. Peterson, E. A. Petyt, D. A. Ping, H. Piteira, R. Pittam, R. Pla-Dalmau, A. Plunkett, R. K. Price, L. E. Proga, M. Pushka, D. R. Rahman, D. Rameika, R. A. Raufer, T. M. Read, A. L. Rebel, B. Reichenbacher, J. Reyna, D. E. Rosenfeld, C. Rubin, H. A. Ruddick, K. Ryabov, V. A. Saakyan, R. Sanchez, M. C. Saoulidou, N. Schneps, J. Schoessow, P. V. Schreiner, P. Schwienhorst, R. Semenov, V. K. Seun, S. -M. Shanahan, P. Shield, P. D. Smart, W. Smirnitsky, V. Smith, C. Smith, P. N. Sousa, A. Speakman, B. Stamoulis, P. Stefanik, A. Sullivan, P. Swan, J. M. Symes, P. A. Tagg, N. Talaga, R. L. Terekhov, A. Tetteh-Lartey, E. Thomas, J. Thompson, J. Thomson, M. A. Thron, J. L. Tinti, G. Trendler, R. Trevor, J. Trostin, I. Tsarev, V. A. Tzanakos, G. Urheim, J. Vahle, P. Vakili, M. Vaziri, K. Velissaris, C. Verebryusov, V. Viren, B. Wai, L. Ward, C. P. Ward, D. R. Watabe, M. Weber, A. Webb, R. C. Wehmann, A. West, N. White, C. White, R. F. Wojcicki, S. G. Wright, D. M. Wu, Q. K. Yan, W. G. Yang, T. Yumiceva, F. X. Yun, J. C. Zheng, H. Zois, M. Zwaska, R. CA MINOS Collaboration TI Observation of muon neutrino disappearance with the MINOS detectors in the NuMI neutrino beam SO PHYSICAL REVIEW LETTERS LA English DT Article ID INJECTION CALIBRATION SYSTEM; FAR DETECTOR; PHOTOMULTIPLIERS; OSCILLATIONS; PERFORMANCE AB This Letter reports results from the MINOS experiment based on its initial exposure to neutrinos from the Fermilab NuMI beam. The rates and energy spectra of charged current nu(mu) interactions are compared in two detectors located along the beam axis at distances of 1 and 735 km. With 1.27x10(20) 120 GeV protons incident on the NuMI target, 215 events with energies below 30 GeV are observed at the Far Detector, compared to an expectation of 336 +/- 14 events. The data are consistent with nu(mu) disappearance via oscillations with vertical bar Delta m(32)(2)vertical bar=2.74(-0.26)(+0.44)x10(-3) eV(2) and sin(2)(2 theta(23))> 0.87 (68% C.L.). C1 CALTECH, Lauritsen Lab, Pasadena, CA 91125 USA. Argonne Natl Lab, Argonne, IL 60439 USA. Univ Athens, Dept Phys, GR-15771 Athens, Greece. Benedictine Univ, Dept Phys, Lisle, IL 60532 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. Univ Cambridge, Cavendish Lab, Cambridge CB3 0HE, England. Univ Estadual Campinas, IF, BR-13083970 Campinas, SP, Brazil. Chinese Acad Sci, Inst High Energy Phys, Beijing 100039, Peoples R China. Coll France, APC, F-75231 Paris 05, France. Columbia Univ, Dept Phys, New York, NY 10027 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. IIT, Div Phys, Chicago, IL 60616 USA. Indiana Univ, Dept Phys, Bloomington, IN 47405 USA. Inst High Energy Phys, RU-140284 Protvino, Moscow Region, Russia. Inst Theoret & Expt Phys, High Energy Expt Phys Dept, Moscow 117218, Russia. James Madison Univ, Dept Phys, Harrisonburg, VA 22807 USA. Joint Inst Nucl Res, RU-141980 Dubna, Moscow Region, Russia. PN Lebedev Phys Inst, Dept Phys Nucl, Moscow 117924, Russia. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. UCL, Dept Phys & Astron, London WC1E 6BT, England. Univ Minnesota, Minneapolis, MN 55455 USA. Univ Minnesota, Dept Phys, Duluth, MN 55812 USA. Univ Oxford, Subdept Particle Phys, Oxford OX1 3RH, England. Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. Univ Sao Paulo, Inst Fis, BR-05315970 Sao Paulo, Brazil. Univ S Carolina, Dept Phys & Astron, Columbia, SC 29208 USA. Stanford Univ, Dept Phys, Stanford, CA 94305 USA. Univ Sussex, Dept Phys & Astron, Brighton BN1 9QH, E Sussex, England. Texas A&M Univ, Dept Phys, College Stn, TX 77843 USA. Univ Texas, Dept Phys, Austin, TX 78712 USA. Tufts Univ, Dept Phys, Medford, MA 02155 USA. Western Washington Univ, Dept Phys, Bellingham, WA 98225 USA. Coll William & Mary, Dept Phys, Williamsburg, VA 23187 USA. Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. RI Nichol, Ryan/C-1645-2008; Gornushkin, Yury/F-4788-2013; Tinti, Gemma/I-5886-2013; Ryabov, Vladimir/E-1281-2014; Koskinen, David/G-3236-2014; Merzon, Gabriel/N-2630-2015; Evans, Justin/P-4981-2014; Kotelnikov, Sergey/A-9711-2014; Gouffon, Philippe/I-4549-2012; Ling, Jiajie/I-9173-2014; Inst. of Physics, Gleb Wataghin/A-9780-2017; Semenov, Vitaliy/E-9584-2017; OI Gornushkin, Yury/0000-0003-3524-4032; Koskinen, David/0000-0002-0514-5917; Evans, Justin/0000-0003-4697-3337; Kotelnikov, Sergey/0000-0002-8027-4612; Gouffon, Philippe/0000-0001-7511-4115; Ling, Jiajie/0000-0003-2982-0670; Hartnell, Jeffrey/0000-0002-1744-7955; Bernstein, Robert/0000-0002-7610-950X; Cherdack, Daniel/0000-0002-3829-728X; Weber, Alfons/0000-0002-8222-6681; Ochoa-Ricoux, Juan Pedro/0000-0001-7376-5555; Hartouni, Edward/0000-0001-9869-4351 NR 40 TC 356 Z9 358 U1 1 U2 17 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD NOV 10 PY 2006 VL 97 IS 19 AR 191801 DI 10.1103/PhysRevLett.97.191801 PG 6 WC Physics, Multidisciplinary SC Physics GA 104LW UT WOS:000241960900020 PM 17155614 ER PT J AU Persson, BNJ Zhao, K Zhang, ZY AF Persson, B. N. J. Zhao, Ke Zhang, Zhenyu TI Comment on "Chemical contribution to surface-enhanced Raman scattering" - Reply SO PHYSICAL REVIEW LETTERS LA English DT Editorial Material ID RESISTIVITY C1 Res Ctr Julich, IFF, D-52425 Julich, Germany. Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Persson, BNJ (reprint author), Res Ctr Julich, IFF, D-52425 Julich, Germany. RI Persson, Bo Nils Johan/I-1548-2013 OI Persson, Bo Nils Johan/0000-0003-1535-738X NR 8 TC 2 Z9 2 U1 2 U2 9 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD NOV 10 PY 2006 VL 97 IS 19 AR 199702 DI 10.1103/PhysRevLett.97.199702 PG 1 WC Physics, Multidisciplinary SC Physics GA 104LW UT WOS:000241960900069 ER PT J AU Somma, R Barnum, H Ortiz, G Knill, E AF Somma, Rolando Barnum, Howard Ortiz, Gerardo Knill, Emanuel TI Efficient solvability of Hamiltonians and limits on the power of some quantum computational models SO PHYSICAL REVIEW LETTERS LA English DT Article ID COMPACT LIE-ALGEBRAS AB One way to specify a model of quantum computing is to give a set of control Hamiltonians acting on a quantum state space whose initial state and final measurement are specified in terms of the Hamiltonians. We formalize such models and show that they can be simulated classically in a time polynomial in the dimension of the Lie algebra generated by the Hamiltonians and logarithmic in the dimension of the state space. This leads to a definition of Lie-algebraic "generalized mean-field Hamiltonians." We show that they are efficiently (exactly) solvable. Our results generalize the known weakness of fermionic linear optics computation and give conditions on control needed to exploit the full power of quantum computing. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Natl Inst Stand & Technol, Math & Computat Sci Div, Boulder, CO 80305 USA. RP Somma, R (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 26 TC 11 Z9 11 U1 0 U2 1 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD NOV 10 PY 2006 VL 97 IS 19 AR 190501 DI 10.1103/PhysRevLett.97.190501 PG 4 WC Physics, Multidisciplinary SC Physics GA 104LW UT WOS:000241960900010 PM 17155604 ER PT J AU Tangney, P Cohen, ML Louie, SG AF Tangney, Paul Cohen, Marvin L. Louie, Steven G. TI Giant wave-drag enhancement of friction in sliding carbon nanotubes SO PHYSICAL REVIEW LETTERS LA English DT Article AB Molecular dynamics simulations of coaxial carbon nanotubes in relative sliding motion reveal a striking enhancement of friction when phonons whose group velocity is close to the sliding velocity of the nanotubes are strongly excited. The effect is analogous to the dramatic increase in air drag experienced by aircraft flying close to the speed of sound but differs in that it can occur in multiple velocity ranges with varying magnitude, depending on the atomic level structures of the nanotubes. The phenomenon is a general one that may occur in other nanoscale mechanical systems. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RP Tangney, P (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RI Tangney, Paul/D-1623-2010 NR 11 TC 19 Z9 19 U1 2 U2 7 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD NOV 10 PY 2006 VL 97 IS 19 AR 195901 DI 10.1103/PhysRevLett.97.195901 PG 4 WC Physics, Multidisciplinary SC Physics GA 104LW UT WOS:000241960900050 PM 17155644 ER PT J AU Wu, CJ Liu, WV Moore, J Das Sarma, S AF Wu, Congjun Liu, W. Vincent Moore, Joel Das Sarma, Sankar TI Quantum stripe ordering in optical lattices SO PHYSICAL REVIEW LETTERS LA English DT Article ID LANDAU-LEVELS; BOSE; CONDENSATE; OXIDES; SPIN AB We predict the robust existence of a novel quantum orbital stripe order in the p-band Bose-Hubbard model of two-dimensional triangular optical lattices with cold bosonic atoms. An orbital angular momentum moment is formed on each site exhibiting a stripe order both in the superfluid and Mott-insulating phases. The stripe order spontaneously breaks time-reversal, lattice translation, and rotation symmetries. In addition, it induces staggered plaquette bond currents in the superfluid phase. Possible signatures of this stripe order in the time of flight experiment are discussed. C1 Univ Calif Santa Barbara, Kavli Inst Theoret Phys, Santa Barbara, CA 93106 USA. Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Sci Mat, Berkeley, CA 94720 USA. Univ Maryland, Condensed Matter Theory Ctr, Dept Phys, College Pk, MD 20742 USA. RP Wu, CJ (reprint author), Univ Calif Santa Barbara, Kavli Inst Theoret Phys, Santa Barbara, CA 93106 USA. RI Das Sarma, Sankar/B-2400-2009; Wu, Congjun/L-1750-2015; Moore, Joel/O-4959-2016 OI Das Sarma, Sankar/0000-0002-0439-986X; Moore, Joel/0000-0002-4294-5761 NR 29 TC 52 Z9 53 U1 0 U2 4 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD NOV 10 PY 2006 VL 97 IS 19 AR 190406 DI 10.1103/PhysRevLett.97.190406 PG 4 WC Physics, Multidisciplinary SC Physics GA 104LW UT WOS:000241960900007 PM 17155601 ER PT J AU Chowell, G Ammon, CE Hengartner, NW Hyman, JM AF Chowell, G. Ammon, C. E. Hengartner, N. W. Hyman, J. M. TI Estimation of the reproductive number of the Spanish flu epidemic in Geneva, Switzerland SO VACCINE LA English DT Article; Proceedings Paper CT 2nd European Influenza Conference CY SEP 11-14, 2005 CL St Julians, MALTA DE influenza; Spanish flu; reproductive number ID INFLUENZA AB The 1918 influenza pandemic known as the "Spanish Flu" has been the worst in recent history with estimated worldwide mortality ranging from 20 to 100 million deaths. Using epidemic modeling and hospital notification data during the 1918 influenza pandemic in the Canton of Geneva, Switzerland, we estimated the reproductive numbers of the first and second waves of influenza infection to be R-1 = 1.49 (95% CI: 1.45-1.53) and R-2 = 3.75 (95% CI: 3.57-3.93), respectively. Our estimates indicate that containment of the next influenza pandemic could require strict interventions that include effective isolation strategies in hospitals and reductions in the susceptibility of the general population. (c) 2006 Elsevier Ltd. All rights reserved. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. CMU, Fac Med, Inst Social & Prevent Med, Geneva 4, Switzerland. RP Chowell, G (reprint author), Los Alamos Natl Lab, Div Theoret, POB 1663,MS B284, Los Alamos, NM 87545 USA. EM chowell@lanl.gov RI Chowell, Gerardo/A-4397-2008; Chowell, Gerardo/F-5038-2012; OI Chowell, Gerardo/0000-0003-2194-2251; Hengartner, Nicolas/0000-0002-4157-134X NR 7 TC 40 Z9 42 U1 3 U2 6 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0264-410X J9 VACCINE JI Vaccine PD NOV 10 PY 2006 VL 24 IS 44-46 BP 6747 EP 6750 DI 10.1016/j.vaccine.2006.05.055 PG 4 WC Immunology; Medicine, Research & Experimental SC Immunology; Research & Experimental Medicine GA 111IG UT WOS:000242444000043 PM 16782243 ER PT J AU Graetz, J Reilly, JJ AF Graetz, Jason Reilly, James J. TI Thermodynamics of the alpha, beta and gamma polymorphs of AlH3 SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article DE energy storage materials; hydrogen storage materials; thermal analysis; calorimetry ID ALUMINUM-HYDRIDE POWDER; THERMAL-DECOMPOSITION; PHYSICOCHEMICAL PROPERTIES; PHOTOLYTIC DECOMPOSITION; HYDROGEN AB The thermodynamics of the alpha, beta and gamma polymorphs of AlH3 were determined using differential scanning calorimetry and ex situ X-ray diffraction. These results demonstrate that at around 100 degrees C the decomposition of the beta and gamma polymorphs occurs by an initial phase transition to the a polymorph followed by decomposition of the a phase. The total heat evolved during the beta -> alpha transition is 1.5 +/- 0.4 kJ/mol AlH3 and 2.8 +/- 0.4 kJ/mol AlH3 during the gamma -> alpha transition. The transformation to the alpha phase is exothermic and is therefore likely to occur spontaneously at room temperature. A formation enthalpy of approximately -10 kJ/mol AlH3 was measured for alpha-AlH3, which is in good agreement with previous experimental and calculated results. (c) 2005 Elsevier B.V. All rights reserved. C1 Brookhaven Natl Lab, Dept Energy Sci & Technol, Upton, NY 11973 USA. RP Graetz, J (reprint author), Brookhaven Natl Lab, Dept Energy Sci & Technol, Bldg 815, Upton, NY 11973 USA. EM graetz@bnl.gov NR 16 TC 93 Z9 96 U1 2 U2 25 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD NOV 9 PY 2006 VL 424 IS 1-2 BP 262 EP 265 DI 10.1016/j.jallcom.2005.11.086 PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 096ZF UT WOS:000241414900048 ER PT J AU Liemohn, MW Ridley, AJ Kozyra, JU Gallagher, DL Thomsen, MF Henderson, MG Denton, MH Brandt, PC Goldstein, J AF Liemohn, Michael W. Ridley, Aaron J. Kozyra, Janet U. Gallagher, Dennis L. Thomsen, Michelle F. Henderson, Michael G. Denton, Michael H. Brandt, Pontus C. Goldstein, Jerry TI Analyzing electric field morphology through data-model comparisons of the Geospace Environment Modeling Inner Magnetosphere/Storm Assessment Challenge events SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Review ID ENERGETIC NEUTRAL ATOM; EXTREME-ULTRAVIOLET IMAGER; STORMTIME PARTICLE ENERGIZATION; SUBAURORAL POLARIZATION STREAM; PARKER-SCKOPKE RELATION; ASYMMETRIC RING CURRENT; PLASMA SHEET ACCESS; GEOSYNCHRONOUS ORBIT; GEOMAGNETIC STORMS; MAGNETIC STORMS AB The storm time inner magnetospheric electric field morphology and dynamics are assessed by comparing numerical modeling results of the plasmasphere and ring current with many in situ and remote sensing data sets. Two magnetic storms are analyzed, 22 April 2001 and 21-23 October 2001, which are the events selected for the Geospace Environment Modeling ( GEM) Inner Magnetosphere/Storms (IM/S) Assessment Challenge (IMSAC). The IMSAC seeks to quantify the accuracy of inner magnetospheric models as well as synthesize our understanding of this region. For each storm, the ring current-atmosphere interaction model ( RAM) and the dynamic global core plasma model (DGCPM) were run together with various settings for the large-scale convection electric field and the nightside ionospheric conductance, while keeping all other simulation settings the same. DGCPM plasmaspheric parameters were compared with IMAGE-EUV plasmapause extractions and LANL-MPA plume locations and velocities. RAM parameters were compared with Dst*, LANL-MPA fluxes and moments, IMAGE-MENA images, and IMAGE-HENA images. Both qualitative and quantitative comparisons were made to determine the electric field morphology that allows the model results to best fit the plasma data at various times during these events. The simulations with self-consistent electric fields were, in general, better than those with prescribed field choices. This indicates that the time-dependent modulation of the inner magnetospheric electric fields by the nightside ionosphere is quite significant for accurate determination of these fields ( and their effects). It was determined that a shielded Volland-Stern field description driven by the 3-hour Kp index yields accurate results much of the time but can be quite inconsistent. The modified McIlwain field description clearly lagged in overall accuracy compared to the other fields, but matched some data sets ( like Dst*) quite well. The rankings between the simulations varied depending on the storm and the individual data sets, indicating that each field description did well for some place, time, and energy range during the events, as well as doing less well in other places, times, and energies. Several unresolved issues regarding the storm time inner magnetospheric electric field are discussed. C1 Univ Michigan, Dept Atmospher Ocean & Space Sci, Ann Arbor, MI 48109 USA. NASA, George C Marshall Space Flight Ctr, Natl Space Sci & Technol Ctr, Huntsville, AL 35812 USA. Los Alamos Natl Lab, ISR1, Los Alamos, NM USA. Univ Southampton, Southampton, Hants, England. Johns Hopkins Univ, Appl Phys Lab, Laurel, MD USA. SW Res Inst, San Antonio, TX USA. RP Liemohn, MW (reprint author), Univ Michigan, Dept Atmospher Ocean & Space Sci, 2455 Hayward St, Ann Arbor, MI 48109 USA. EM liemohn@umich.edu RI Liemohn, Michael/H-8703-2012; Henderson, Michael/A-3948-2011; Ridley, Aaron/F-3943-2011; OI Liemohn, Michael/0000-0002-7039-2631; Henderson, Michael/0000-0003-4975-9029; Ridley, Aaron/0000-0001-6933-8534; Denton, Michael/0000-0002-1748-3710 NR 123 TC 27 Z9 27 U1 1 U2 5 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-9380 EI 2169-9402 J9 J GEOPHYS RES-SPACE JI J. Geophys. Res-Space Phys. PD NOV 9 PY 2006 VL 111 IS A11 AR A11S11 DI 10.1029/2006JA011700 PG 25 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 104UY UT WOS:000241986400005 ER PT J AU Huertas, O Poater, J Fuentes-Cabrera, M Orozco, M Sola, M Luque, FJ AF Huertas, Oscar Poater, Jordi Fuentes-Cabrera, Miguel Orozco, Modesto Sola, Miquel Luque, F. Javier TI Local aromaticity in natural nucleobases and their size-expanded benzo-fused derivatives SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID INDEPENDENT CHEMICAL-SHIFTS; MINIMUM POLARIZABILITY PRINCIPLE; PAIRED GENETIC HELIX; AB-INITIO; DELOCALIZATION INDEXES; ELECTRON LOCALIZATION; MAXIMUM HARDNESS; CHARGE-TRANSFER; DNA-MOLECULES; HARTREE-FOCK AB The influence of the insertion/addition of a benzene ring to the natural nucleic acid bases on the local aromaticity of the so-called size-expanded (xN, with N being adenine, guanine, cytosine, and thymine) bases is examined. To this end, the local aromaticity of the six- and five-membered rings in both the natural bases and their benzoderivatives is determined using HOMA, NICS, aromatic fluctuation index (FLU), and para-delocalization index (PDI) descriptors. In general, there is a good correspondence between the different indices, so that ring moieties with more negative NICS values also have larger HOMA and PDI measures and lower FLU indices. The results also point out notable differences in the aromatic character of the natural and size-expanded bases, which generally are hardly affected upon hydrogen bonding. The differences in the highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap determined for the size-expanded nucleobases show an inverse correlation with the aromaticity of the fused benzene ring, so that the larger the HOMO-LUMO gap is, the lower the destabilization experienced by the benzene upon insertion/addition to the natural bases. This finding suggests that the introduction of suitable chemical modifications in the benzene ring might be useful to modulate the HOMO-LUMO gap while enabling the design of modified DNA duplexes that are able to act as molecular wires. C1 Univ Barcelona, Dept Fisicoquim, Fac Farm, E-08028 Barcelona, Spain. Vrije Univ Amsterdam, Afdeling Theoret Chem, Scheikundig Lab, NL-1081 HV Amsterdam, Netherlands. Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. Univ Barcelona, Dept Bioquim & Biol Mol, Fac Quim, E-08028 Barcelona, Spain. Unidad Modelizac Mol & Bioinformat, Barcelona 08028, Spain. Barcelona Supercomp Ctr, Computac Biol Program, Barcelona 08028, Spain. Univ Girona, Inst Quim Computac, Girona 17071, Spain. Univ Girona, Dept Quim, Girona 17071, Spain. RP Sola, M (reprint author), Univ Barcelona, Dept Fisicoquim, Fac Farm, Avenida Diagonal 643, E-08028 Barcelona, Spain. EM miquel.sola@udg.es; fjluque@ub.edu RI Sola, Miquel/A-6155-2009; Poater, Jordi/B-5028-2009; Fuentes-Cabrera, Miguel/Q-2437-2015; Luque, F. Javier/L-9652-2014; OI Sola, Miquel/0000-0002-1917-7450; Poater, Jordi/0000-0002-0814-5074; Fuentes-Cabrera, Miguel/0000-0001-7912-7079; Luque, F. Javier/0000-0002-8049-3567; Orozco Lopez, Modesto/0000-0002-8608-3278 NR 89 TC 38 Z9 38 U1 0 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD NOV 9 PY 2006 VL 110 IS 44 BP 12249 EP 12258 DI 10.1021/jp063790t PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 101GO UT WOS:000241729200024 PM 17078622 ER PT J AU Gibbs, GV Spackman, MA Jayatilaka, D Rosso, KM Cox, DF AF Gibbs, G. V. Spackman, M. A. Jayatilaka, D. Rosso, K. M. Cox, D. F. TI Bond length and local energy density property connections for non-transition-metal oxide-bonded interactions SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID CRITICAL-POINT PROPERTIES; EXPERIMENTAL CHARGE-DENSITY; ELECTRON-DENSITY; CHEMICAL-BOND; DISTRIBUTIONS; MOLECULES; CRYSTALS; TERMS; SIO AB For a variety of molecules and earth materials, the theoretical local kinetic energy density, G(rc), increases and the local potential energy density, V(r(c)), decreases as the M-O bond lengths (M) first- and second-row metal atoms bonded to O) decrease and the electron density, F(r(c)), accumulates at the bond critical points, rc. Despite the claim that the local kinetic energy density per electronic charge, G(r(c))/F(r(c)), classifies bonded interactions as shared interactions when less than unity and closed-shell when greater, the ratio was found to increase from 0.5 to 2.5 au as the local electronic energy density, H(r(c))) G(r(c)) + V(r(c)), decreases and becomes progressively more negative. The ratio appears to be a measure of the character of a given M-O bonded interaction, the greater the ratio, the larger the value of F(r(c)), the smaller the coordination number of the M atom and the more shared the bonded interaction. H(r(c))/ F(r(c)) versus G(r(c))/F(r(c)) scatter diagrams categorize the M-O bonded interactions into domains with the local electronic energy density per electron charge, H(r(c)) F(r(c)), tending to decrease as the electronegativity differences for the bonded pairs of atoms decrease. The values of G(r(c)) and V(r(c)), estimated with a gradient-corrected electron gas theory expression and the local virial theorem, are in good agreement with theoretical values, particularly for the bonded interactions involving second-row M atoms. The agreement is poorer for shared C-O and N-O bonded interactions. C1 Virginia Tech, Dept Geosci Mat Sci & Engn & Math, Blacksburg, VA 24061 USA. Univ Western Australia, Sch Biomed Biomol & Chem Sci, Crawley, WA 6009, Australia. Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. Virginia Tech, Dept Chem Engn, Blacksburg, VA 24061 USA. RP Gibbs, GV (reprint author), Virginia Tech, Dept Geosci Mat Sci & Engn & Math, Blacksburg, VA 24061 USA. EM gvgibbs@vt.edu RI Jayatilaka, Dylan/B-3498-2012; Spackman, Mark/D-1197-2010 OI Jayatilaka, Dylan/0000-0002-3349-5834; Spackman, Mark/0000-0003-1521-2041 NR 41 TC 25 Z9 25 U1 0 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD NOV 9 PY 2006 VL 110 IS 44 BP 12259 EP 12266 DI 10.1021/jp062992m PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 101GO UT WOS:000241729200025 PM 17078623 ER PT J AU Ling, SL Yu, WB Huang, ZJ Lin, ZJ Haranczyk, M Gutowski, M AF Ling, Sanliang Yu, Wenbo Huang, Zhijian Lin, Zijing Haranczyk, Maciej Gutowski, Maciej TI Gaseous arginine conformers and their unique intramolecular interactions SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID CONFORMATION-DEPENDENT IONIZATION; POTENTIAL-ENERGY SURFACES; DENSITY-FUNCTIONAL THEORY; SHIFTING HYDROGEN-BONDS; LEVEL AB-INITIO; GAS-PHASE; PROTONATED ARGININE; AMINO-ACIDS; TORSIONAL ANHARMONICITY; ZWITTERIONIC ARGININE AB Extensive ab initio calculations were employed to characterize stable conformers of gaseous arginine, both the canonical and zwitterionic tautomers. Step-by-step geometry optimizations of possible single-bond rotamers at the B3LYP/6-31G(d), B3LYP/6-31++ G( d, p), and MP2/6-31++G( d, p) levels yield numerous structures that are more stable than any known ones. The final electronic energies of the conformers were determined at the CCSD/6-31++ G( d, p) level. The lowest energies of the canonical and zwitterionic structures are lower than the existing values by 2.0 and 2.3 kcal/ mol, respectively. The relative energies, rotational constants, dipole moments, and harmonic frequencies of the stable conformers remain for future experimental verification. The conformational distributions at various temperatures, estimated according to thermodynamic principles, consist almost exclusively of the newly found structures. One striking feature is the occurrence of blue-shifting hydrogen bonds in all six of the most stable conformers. A unique feature of important conformations is the coexistence of dihydrogen and blue- and red-shifting hydrogen bonds. In addition to the hydrogen bonds, the stereoelectronic effects were also found to be important stabilization factors. The calculated and measured proton affinities agree within the theoretical and experimental uncertainties, affirming the high quality of our conformational search. The theoretical gas-phase basicity of 245.9 kcal/mol is also in good agreement with the experimental value of 240.6 kcal/mol. The extensive searches establish firmly that gaseous arginine exists primarily in the canonical and not the zwitterionic form. C1 Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Dept Phys, Hefei 230026, Anhui, Peoples R China. Univ Gdansk, Inst Chem, PL-80952 Gdansk, Poland. Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. Heriot Watt Univ, Chem Sch Engn & Phys Sci, Edinburgh EH14 4AS, Midlothian, Scotland. RP Lin, ZJ (reprint author), Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Dept Phys, Hefei 230026, Anhui, Peoples R China. EM zjlin@ustc.edu.cn RI Yu, Wenbo/C-6697-2008; Ling, Sanliang/B-4603-2010; Lin, Zijing/D-4050-2009; Huang, Zhijian/K-9039-2012; Haranczyk, Maciej/A-6380-2014; OI Yu, Wenbo/0000-0003-2601-3611; Haranczyk, Maciej/0000-0001-7146-9568; Ling, Sanliang/0000-0003-1574-7476 NR 66 TC 73 Z9 74 U1 2 U2 23 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD NOV 9 PY 2006 VL 110 IS 44 BP 12282 EP 12291 DI 10.1021/jp0645115 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 101GO UT WOS:000241729200028 PM 17078626 ER PT J AU Nir, E Michalet, X Hamadani, KM Laurence, TA Neuhauser, D Kovchegov, Y Weiss, S AF Nir, Eyal Michalet, Xavier Hamadani, Kambiz M. Laurence, Ted A. Neuhauser, Daniel Kovchegov, Yevgeniy Weiss, Shimon TI Shot-noise limited single-molecule FRET histograms: Comparison between theory and experiments SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID RESONANCE ENERGY-TRANSFER; FLUORESCENCE CORRELATION SPECTROSCOPY; ALTERNATING-LASER EXCITATION; TRANSFER CONFOCAL MICROSCOPY; CONFORMATIONAL DYNAMICS; STRUCTURAL HETEROGENEITIES; DIFFUSING BIOMOLECULES; NUCLEIC-ACIDS; PROTEIN; IDENTIFICATION AB We describe a simple approach and present a straightforward numerical algorithm to compute the best fit shot-noise limited proximity ratio histogram (PRH) in single-molecule fluorescence resonant energy transfer diffusion experiments. The key ingredient is the use of the experimental burst size distribution, as obtained after burst search through the photon data streams. We show how the use of an alternated laser excitation scheme and a correspondingly optimized burst search algorithm eliminates several potential artifacts affecting the calculation of the best fit shot-noise limited PRH. This algorithm is tested extensively on simulations and simple experimental systems. We find that dsDNA data exhibit a wider PRH than expected from shot noise only and hypothetically account for it by assuming a small Gaussian distribution of distances with an average standard deviation of 1.6 angstrom. Finally, we briefly mention the results of a future publication and illustrate them with a simple two-state model system (DNA hairpin), for which the kinetic transition rates between the open and closed conformations are extracted. C1 Univ Calif Los Angeles, Dept Chem & Biochem, Dept Physiol, Los Angeles, CA 90095 USA. Univ Calif Los Angeles, Calif Nanosci Inst, Los Angeles, CA 90095 USA. Lawrence Livermore Natl Lab, Phys Biosci Inst, Livermore, CA 94550 USA. Oregon State Univ, Dept Math, Corvallis, OR 97331 USA. RP Weiss, S (reprint author), Univ Calif Los Angeles, Dept Chem & Biochem, Dept Physiol, Los Angeles, CA 90095 USA. RI Laurence, Ted/E-4791-2011; weiss, shimon/B-4164-2009; Michalet, Xavier/A-9704-2009 OI Laurence, Ted/0000-0003-1474-779X; weiss, shimon/0000-0002-0720-5426; Michalet, Xavier/0000-0001-6602-7693 FU NIGMS NIH HHS [R01 GM069709, 1R01-GM65382, R01 GM065382, R01 GM065382-03] NR 53 TC 148 Z9 150 U1 3 U2 20 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD NOV 9 PY 2006 VL 110 IS 44 BP 22103 EP 22124 DI 10.1021/jp063483n PG 22 WC Chemistry, Physical SC Chemistry GA 101GP UT WOS:000241729300009 PM 17078646 ER PT J AU Cloet, IC Bentz, W Thomas, AW AF Cloet, I. C. Bentz, W. Thomas, A. W. TI EMC and polarized EMC effects in nuclei SO PHYSICS LETTERS B LA English DT Article ID DEEP INELASTIC-SCATTERING; Q(2) EVOLUTION-EQUATIONS; QUARK DISTRIBUTIONS; NUMERICAL-SOLUTION; MODEL; MATTER; SHELL AB We determine nuclear structure functions and quark distributions for Li-7, B-11, N-15 and Al-27 For the nucleon bound state we solve the covariant quark-diquark equations in a confining Nambu-Jona-Lasinio model, which yields excellent results for the free nucleon structure functions. The nucleus is described using a relativistic shell model, including mean scalar and vector fields that couple to the quarks in the nucleon. The nuclear structure functions are then obtained as a convolution of the structure function of the bound nucleon with the light-cone nucleon distributions. We find that we are readily able to reproduce the EMC effect in finite nuclei and confirm earlier nuclear matter studies that found a large polarized EMC effect. (c) 2006 Elsevier B.V. All rights reserved. C1 Univ Adelaide, Special Res Ctr Subatom Struct Matter, Adelaide, SA 5005, Australia. Univ Adelaide, Dept Phys & Math Phys, Adelaide, SA 5005, Australia. Jefferson Lab, Newport News, VA 23606 USA. Tokai Univ, Sch Sci, Dept Phys, Hiratsuka, Kanagawa 2591292, Japan. RP Cloet, IC (reprint author), Univ Adelaide, Special Res Ctr Subatom Struct Matter, Adelaide, SA 5005, Australia. EM icloet@jlab.org; bentz@keyaki.cc.u-tokai.ac.jp; awthomas@jlab.org RI Thomas, Anthony/G-4194-2012 OI Thomas, Anthony/0000-0003-0026-499X NR 37 TC 53 Z9 54 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD NOV 9 PY 2006 VL 642 IS 3 BP 210 EP 217 DI 10.1016/j.physletb.2006.08.076 PG 8 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 106ZS UT WOS:000242141100008 ER PT J AU Hegg, DA Covert, DS Crahan, KK Jonsson, HH Liu, Y AF Hegg, D. A. Covert, D. S. Crahan, K. K. Jonsson, H. H. Liu, Y. TI Measurements of aerosol size-resolved hygroscopicity at sub and supermicron sizes SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID PARTICLES; GROWTH; ATLANTIC; HUMIDITY; WATER AB Airborne measurements of size-resolved aerosol hygroscopicity are presented using an optical particle counting and sizing technique. The measurement range of 0.25 to 3.5 mu m is significantly greater, and extends to larger sizes, than previous in situ techniques. Preliminary results reveal a peak in aerosol hygroscopicity in the 0.5 - 1.5 mu m diameter size range in both marine and polluted aerosols. Geometric growth factors range from 1.3 to 1.5 and 1.1 to 1.3 for the sub and super-micron particles, respectively. C1 Univ Washington, Dept Atmospher Sci, Seattle, WA 98195 USA. USN, Dept Meteorol, Postgrad Sch, Monterey, CA 93943 USA. USN, Ctr Interdisciplinary Remotely Piloted Aircraft S, Postgrad Sch, Monterey, CA USA. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Hegg, DA (reprint author), Univ Washington, Dept Atmospher Sci, MC 351640, Seattle, WA 98195 USA. EM deanhegg@atmos.washington.edu RI liu, yong/F-6736-2012 NR 23 TC 14 Z9 14 U1 1 U2 10 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0094-8276 J9 GEOPHYS RES LETT JI Geophys. Res. Lett. PD NOV 8 PY 2006 VL 33 IS 21 AR L21808 DI 10.1029/2006GL026747 PG 5 WC Geosciences, Multidisciplinary SC Geology GA 104TS UT WOS:000241982900002 ER PT J AU Du, CW Yu, M Volkow, ND Koretsky, AP Fowler, JS Benveniste, H AF Du, Congwu Yu, Mei Volkow, Nora D. Koretsky, Alan P. Fowler, Joanna S. Benveniste, Helene TI Cocaine increases the intracellular calcium concentration in brain independently of its cerebrovascular effects SO JOURNAL OF NEUROSCIENCE LA English DT Article DE cocaine; cerebrovascular; calcium; blood volume; oxygenation; neurotoxicity ID CEREBRAL-BLOOD-FLOW; POSITRON EMISSION TOMOGRAPHY; PERFUSED MOUSE HEART; IN-VIVO; RAT-BRAIN; COMPARATIVE NEUROTOXICITY; HEMODYNAMIC-RESPONSES; FLUORESCENCE; ISCHEMIA; NEURONS AB Cocaine abuse increases the risk of life-threatening neurological complications such as strokes and seizures. Although the vasoconstricting properties of cocaine underlie its cerebrovascular effects, the mechanisms underlying its neurotoxicity remain incompletely understood. Here, we use optical techniques to measure cerebral blood volume, hemoglobin oxygenation (S(t)O(2)), and intracellular calcium ([Ca(2+)](i)) to test the hypothesis that cocaine increases [Ca(2+)](i) in the brain. The effects of cocaine were compared with those of methylphenidate, which has similar catecholaminergic effects as cocaine ( except for serotonin increases) but no local anesthetic properties, and of lidocaine, which has similar local anesthetic effects as cocaine but is devoid of catecholaminergic actions. To control for the hemodynamic effects of cocaine, we assessed the effects of cocaine in animals in which normal blood pressure was maintained by infusion of phenylephrine, and we also measured the effects of transient hypotension ( mimicking that induced by cocaine). We show that cocaine induced significant increases (similar to 10-15%) in [Ca(2+)](i) that were independent of its hemodynamic effects and of the anesthetic used (isofluorance or alpha-chloralose). Lidocaine but not methylphenidate also induced significant [Ca(2+)](i) increases (similar to 10-13%). This indicates that cocaine at a dose within the range used by drug users significantly increases the [Ca(2+)](i) in the brain and its local anesthetic, but neither its catecholaminergic nor its hemodynamic actions, underlies this effect. Cocaine-induced [Ca(2+)](i) increases are likely to accentuate the neurotoxic effects from cocaine-induced vasoconstriction and to facilitate the occurrence of seizures from the catecholaminergic effects of cocaine. These findings support the use of calcium channel blockers as a strategy to minimize the neurotoxic effects of cocaine. C1 Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. NIAAA, Bethesda, MD 20892 USA. NINDS, Lab Funct & Mol Imaging, NIH, Bethesda, MD 20892 USA. SUNY Stony Brook, Dept Anesthesiol, Stony Brook, NY 11794 USA. RP Benveniste, H (reprint author), Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. EM congwu@bnl.gov; Benveniste@bnl.gov RI Koretsky, Alan/C-7940-2015 OI Koretsky, Alan/0000-0002-8085-4756 FU Intramural NIH HHS [Z01 NS002989-08] NR 70 TC 34 Z9 34 U1 2 U2 5 PU SOC NEUROSCIENCE PI WASHINGTON PA 11 DUPONT CIRCLE, NW, STE 500, WASHINGTON, DC 20036 USA SN 0270-6474 J9 J NEUROSCI JI J. Neurosci. PD NOV 8 PY 2006 VL 26 IS 45 BP 11522 EP 11531 DI 10.1523/JNEUROSCI.3612-06.2006 PG 10 WC Neurosciences SC Neurosciences & Neurology GA 103NE UT WOS:000241892700003 PM 17093073 ER PT J AU Apblett, C Ingersoll, D Atanassov, P Maricle, D Sarangapani, S AF Apblett, Christopher Ingersoll, David Atanassov, Plamen Maricle, Donald Sarangapani, S. TI Fabrication and testing of a miniature H-2/O-2 and MeOH/O-2 fuel cell SO JOURNAL OF POWER SOURCES LA English DT Article DE hydrogen; methanol; miniature; fuel cell ID EXTERNAL HUMIDIFICATION; OPERATING-CONDITIONS; LAMINAR-FLOW; METHANOL; PERFORMANCE; ELECTRODES; TRANSPORT; LAYERS; FIELD AB The construction and performance of a small-scale fuel cell using traditional catalysts and membrane separators is discussed. Cell active area was 1 cm x 1 cm, with a total unit cell volume of 0.3 cm(3) each. Under well-hydrated conditions running under hydrogen and oxygen, these cells demonstrated over 600 mW cm(-2) at 80 degrees C. Design of flow fields and the requirements for water management showed that flow channels that were too small may have resulted in early channel blockage on the cathode, leading to lower power. Miniature cells suffered from higher than expected interfacial resistance which increased with time and this may be due either to more difficult hydration control in the membrane at smaller dimensions, or less compression in the smaller scale size leading to higher flow field/diffusion layer interfacial resistances. Running single cells in methanol to alleviate hydration issues still showed much higher interfacial resistances, but cell performance was roughly 75 mW cm(-2) at 80 degrees C in 1M MeOH with 20 sccm of ambient pressure air, and 140 MW cm(-2) in 1M MeOH with 20 sccm ambient pressure O-2. Lower performance in MeOH may be attributed to swelling of the sealing gaskets in methanol, leading to increased interfacial resistances over time. (c) 2006 Elsevier B.V. All rights reserved. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Univ New Mexico, Albuquerque, NM 87131 USA. Maricle Consulting LLC, Glastonbury, CT 06033 USA. ICET Inc, Norwood, MA 02062 USA. RP Apblett, C (reprint author), Sandia Natl Labs, 1515 Eubank Blvd SE, Albuquerque, NM 87185 USA. EM caapble@sandia.gov; dingers@sandia.gov; plamen@unm.edu; donmaricle@att.net; S-sarangapani@verizon.net RI Atanassov, Plamen/G-4616-2011 NR 27 TC 3 Z9 3 U1 0 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD NOV 8 PY 2006 VL 162 IS 1 BP 255 EP 261 DI 10.1016/j.jpowsour.2006.06.052 PG 7 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 105VF UT WOS:000242059700033 ER PT J AU Ahluwalia, RK Wang, X AF Ahluwalia, R. K. Wang, X. TI Rapid self-start of polymer electrolyte fuel cell stacks from subfreezing temperatures SO JOURNAL OF POWER SOURCES LA English DT Article DE polymer electrolyte fuel cells; startup from subfreezing temperatures; automotive propulsion systems ID WATER TRANSPORT; PERFORMANCE; DEPENDENCE; MEMBRANES; MODEL AB Polymer electrolyte fuel cell (PEFC) systems for light-duty vehicles must be able to start unassisted and rapidly from temperatures below -20 degrees C. Managing buildup of ice within the porous cathode catalyst and electrode structure is the key to self-starting a PEFC stack from subfreezing temperatures. The stack temperature must be raised above the melting point of ice before the ice completely covers the cathode catalyst and shuts down the electrochemical reaction. For rapid and robust self-start it is desirable to operate the stack near the short-circuit conditions. This mode of operation maximizes hydrogen utilization, favors production of waste heat that is absorbed by the stack, and delays complete loss of effective electrochemical surface area by causing a large fraction of the ice to form in the gas diffusion layer rather than in the cathode catalyst layer. Preheating the feed gases, using the power generated to electrically heat the stack, and operating pressures have only small effect on the ability to self-start or the startup time. In subfreezing weather, the stack shut-down protocol should include flowing ambient air through the hot cathode passages to vaporize liquid water remaining in the cathode catalyst. Self-start is faster and more robust if the bipolar plates are made from metal rather than graphite. (c) 2006 Elsevier B.V. All rights reserved. C1 Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. RP Ahluwalia, RK (reprint author), Argonne Natl Lab, Nucl Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM walia@ne.anl.gov NR 12 TC 52 Z9 53 U1 0 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD NOV 8 PY 2006 VL 162 IS 1 BP 502 EP 512 DI 10.1016/j.jpowsour.2006.06.071 PG 11 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 105VF UT WOS:000242059700061 ER PT J AU Rutledge, RD Morris, WH Wellons, MS Gai, Z Shen, J Bentley, J Wittig, JE Lukehart, CM AF Rutledge, Ryan D. Morris, William H., III Wellons, Matthew S. Gai, Zheng Shen, Jian Bentley, James Wittig, James E. Lukehart, Charles M. TI Formation of FePt nanoparticles having high coercivity SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID RELATIVE PERFORMANCE; NANOCOMPOSITES; CATALYSTS; ASSEMBLIES; PRECURSOR; SIZE C1 Vanderbilt Univ, Dept Chem, Nashville, TN 37235 USA. Vanderbilt Univ, Dept Elect Engn & Comp Sci, Nashville, TN 37235 USA. Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Lukehart, CM (reprint author), Vanderbilt Univ, Dept Chem, Box 1583, Nashville, TN 37235 USA. EM chuck.lukehart@vanderbilt.edu RI Gai, Zheng/B-5327-2012 OI Gai, Zheng/0000-0002-6099-4559 NR 23 TC 53 Z9 53 U1 3 U2 21 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD NOV 8 PY 2006 VL 128 IS 44 BP 14210 EP 14211 DI 10.1021/ja0633868 PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 101GN UT WOS:000241729100001 PM 17076466 ER PT J AU Wenzel, SC Williamson, RM Grunanger, C Xu, J Gerth, K Martinez, RA Moss, SJ Carroll, BJ Grond, S Unkefer, CJ Muller, R Floss, HG AF Wenzel, Silke C. Williamson, Rachel M. Gruenanger, Christian Xu, Jun Gerth, Klaus Martinez, Rodolfo A. Moss, Steven J. Carroll, Brian J. Grond, Stephanie Unkefer, Clifford J. Mueller, Rolf Floss, Heinz G. TI On the biosynthetic origin of methoxymalonyl-acyl carrier protein, the substrate for incorporation of "glycolate" units into ansamitocin and soraphen A SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID SULFOXIDE DIRECTED REDUCTION; CHAIN EXTENSION UNIT; GENE-CLUSTER; ASYMMETRIC-SYNTHESIS; CONCANAMYCIN-A; ENANTIOSELECTIVE SYNTHESIS; POLYKETIDE SYNTHASE; CRYSTAL-STRUCTURE; NATURAL-PRODUCTS; MOLECULAR-BASIS AB Feeding experiments with isotope-labeled precursors rule out hydroxypyruvate and TCA cycle intermediates as the metabolic source of methoxymalonyl-ACP, the substrate for incorporation of "glycolate" units into ansamitocin P-3, soraphen A, and other antibiotics. They point to 1,3-bisphosphoglycerate as the source of the methoxymalonyl moiety and show that its C-1 gives rise to the thioester carbonyl group (and hence C-1 of the "glycolate" unit), and its C-3 becomes the free carboxyl group of methoxymalonyl-ACP, which is lost in the subsequent Claisen condensation on the type I modular polyketide synthases (PKS). D-[1,2-C-13(2)] Glycerate is also incorporated specifically into the "glycolate" units of soraphen A, but not of ansamitocin P-3, suggesting differences in the ability of the producing organisms to activate glycerate. A biosynthetic pathway from 1,3-bisphosphoglycerate to methoxymalonyl-ACP is proposed. Two new syntheses of R-and S-[1,2-C-13(2)] glycerol were developed as part of this work. C1 Univ Saarland, Inst Pharmaceut Biotechnol, D-66041 Saarbrucken, Germany. Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. Univ Washington, Dept Chem, Seattle, WA 98195 USA. German Res Ctr Biotechnol GBF, D-38124 Braunschweig, Germany. Univ Gottingen, Inst Organ & Biomol Chem, D-37077 Gottingen, Germany. RP Muller, R (reprint author), Univ Saarland, Inst Pharmaceut Biotechnol, POB 151150, D-66041 Saarbrucken, Germany. EM rom@mx.uni-saarland.de; floss@chem.washington.edu RI Muller, Rolf/B-1559-2008 OI Muller, Rolf/0000-0002-1042-5665 FU NCI NIH HHS [CA 76461]; NIBIB NIH HHS [5P41 EB002166] NR 54 TC 42 Z9 42 U1 0 U2 16 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD NOV 8 PY 2006 VL 128 IS 44 BP 14325 EP 14336 DI 10.1021/ja064408t PG 12 WC Chemistry, Multidisciplinary SC Chemistry GA 101GN UT WOS:000241729100040 PM 17076505 ER PT J AU Strzalka, J Xu, T Tronin, A Wu, SP Miloradovic, I Kuzmenko, I Gog, T Therien, MJ Blasie, JK AF Strzalka, Joseph Xu, Ting Tronin, Andrey Wu, Sophia P. Miloradovic, Ivan Kuzmenko, Ivan Gog, Thomas Therien, Michael J. Blasie, J. Kent TI Structural studies of amphiphilic 4-helix bundle peptides incorporating designed extended chromophores for nonlinear optical biomolecular materials SO NANO LETTERS LA English DT Article ID STATE; FLUORESCENCE; MONOLAYERS; SYSTEMS; SINGLET AB Extended conjugated chromophores containing (porphinato) zinc components that exhibit large optical polarizabilities and hyperpolarizabiliites are incorporated into amphiphilic 4-helix bundle peptides via specific axial histidyl ligation of the metal. The bundle's designed amphiphilicity enables vectorial orientation of the chromophore/peptide complex in macroscopic monolayer ensembles. The 4-helix bundle structure is maintained upon incorporation of two different chromophores at stoichiometries of 1-2 per bundle. The axial ligation site appears to effectively control the position of the chromophore along the length of the bundle. C1 Univ Penn, Dept Chem, Philadelphia, PA 19104 USA. Argonne Natl Lab, Complex Mat Consortium, Adv Photon Source, Argonne, IL 60439 USA. RP Blasie, JK (reprint author), Univ Penn, Dept Chem, 231 S 34th St, Philadelphia, PA 19104 USA. EM jkblasie@sas.upenn.edu OI Strzalka, Joseph/0000-0003-4619-8932 FU NCRR NIH HHS [RR14812-05]; NIGMS NIH HHS [GM071628] NR 26 TC 25 Z9 25 U1 0 U2 5 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD NOV 8 PY 2006 VL 6 IS 11 BP 2395 EP 2405 DI 10.1021/nl062092h PG 11 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 103AT UT WOS:000241856700003 PM 17090064 ER PT J AU Koganti, VR Dunphy, D Gowrishankar, V McGehee, MD Li, XF Wang, J Rankin, SE AF Koganti, Venkat R. Dunphy, Darren Gowrishankar, Vignesh McGehee, Michael D. Li, Xuefa Wang, Jin Rankin, Stephen E. TI Generalized coating route to silica and titania films with orthogonally tilted cylindrical nanopore arrays SO NANO LETTERS LA English DT Article ID COPOLYMER THIN-FILMS; X-RAY-DIFFRACTION; ALUMINA MEMBRANE; BLOCK-COPOLYMERS; MESOPOROUS FILMS; NANOSTRUCTURES; MESOSTRUCTURES; ORIENTATION; SURFACTANTS; DEPOSITION AB We describe a simple, inexpensive coating method to produce thin silica and titania films with surfactant templated, orthogonally tilted cylindrical nanopore arrays. These films can be deposited onto any substrate because orientation of the 2D hexagonally close packed (HCP) mesophases out of the plane of the film is directed by a chemically neutral sacrificial copolymer layer. Orientation of the HCP mesophases through the entire thickness of films cured in open air is achieved by limiting the coating thickness. This generalizes the coating method by making it possible to deposit oriented films on substrates of any curvature and size. We find a critical thickness between 70 and 100 nm, below which the triblock copolymer surfactant-templated HCP phase aligns completely out of the plane of glass and silicon wafer substrates. Above this thickness, the effect of the chemically neutral bottom layer does not propagate across the entire film, and alignment of the HCP mesophases parallel to the (nonpolar) air interface produces a mixed orientation. C1 Univ Kentucky, Dept Chem & Mat Engn, Lexington, KY 40506 USA. Sandia Natl Labs, Albuquerque, NM 87106 USA. Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Rankin, SE (reprint author), Univ Kentucky, Dept Chem & Mat Engn, Lexington, KY 40506 USA. EM srankin@engr.uky.edu RI Rankin, Stephen/A-3265-2013 OI Rankin, Stephen/0000-0002-8615-7564 NR 27 TC 74 Z9 74 U1 1 U2 27 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD NOV 8 PY 2006 VL 6 IS 11 BP 2567 EP 2570 DI 10.1021/nl061992v PG 4 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 103AT UT WOS:000241856700031 PM 17090092 ER PT J AU Yamaguchi, H Durell, SR Feng, HQ Bai, YW Anderson, CW Appella, E AF Yamaguchi, Hiroshi Durell, Stewart R. Feng, Hanqiao Bai, Yawen Anderson, Carl W. Appella, Ettore TI Development of a substrate-based cyclic phosphopeptide inhibitor of protein phosphatase 2C delta, Wip1 SO BIOCHEMISTRY LA English DT Article ID PROTEIN-TYROSINE-PHOSPHATASE; UV-RADIATION; PPM1D; P38; P53; KINASE; PHOSPHORYLATION; AMPLIFICATION; ACTIVATION; TUMORIGENESIS AB The wild-type p53-induced phosphatase, Wip1 ( PP2C delta or PPM1D) is a member of the protein phosphatase 2C (PP2C) family and functions as a negative regulator of the p38 MAP kinase-p53 signaling pathway. PPM1D is amplified or Wip1 is overexpressed in several human cancers, and it acts as a weak oncogene. Although inhibition of Wip1 may have therapeutic value, no specific inhibitors are available. In this study, we designed phosphopeptide inhibitors for Wip1 on the basis of its optimal substrate sequence. We found that phosphoserine-containing diphosphorylated peptides with the sequence pSXpY inhibited Wip1 phosphatase activity, whereas phosphothreonine-containing peptides with the sequence pTXpY were physiological substrates. Moreover, the X residue in the pSXpY sequence modulated inhibitor activity, and beta-branched amino acid- substituted (Ile or Val) phosphopeptides showed high inhibitory potencies. A thioether cyclic phosphopeptide c(MpSIpYVA) had a K-i < 1.0 mu M. Two serine/threonine phosphatases, PP2C alpha and PP2A, were not significantly inhibited by the cyclic phosphopeptide with a nonhydrolyzable phosphoserine mimetic. A homology model of Wip1 bound to a cyclic phosphopeptide and site-directed mutagenesis helped to identify residues important for Wip1 inhibitor selectivity among the PP2C family. These results provide the first proof of concept of a specific inhibitor of the catalytic site of Wip1 and should be useful for developing potential anti-cancer drugs. C1 NCI, Cell Biol Lab, NIH, Bethesda, MD 20892 USA. NCI, Biochem Lab, NIH, Bethesda, MD 20892 USA. Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Appella, E (reprint author), NCI, Cell Biol Lab, NIH, Bethesda, MD 20892 USA. EM appellae@pop.nci.nih.gov FU Intramural NIH HHS NR 40 TC 39 Z9 40 U1 1 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0006-2960 J9 BIOCHEMISTRY-US JI Biochemistry PD NOV 7 PY 2006 VL 45 IS 44 BP 13193 EP 13202 DI 10.1021/bi061356b PG 10 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 100LJ UT WOS:000241670300007 PM 17073441 ER PT J AU Kammrath, A Verlet, JRR Griffin, GB Neumark, DM AF Kammrath, Aster Verlet, Jan R. R. Griffin, Graham B. Neumark, Daniel M. TI Photoelectron imaging of large anionic methanol clusters: (MeOH)(n)(-) (n similar to 70-460) SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID LIQUID-VAPOR INTERFACE; SOLVATED ELECTRON; WATER CLUSTERS; EXCESS ELECTRONS; PROBE SPECTROSCOPY; ALCOHOLS; DYNAMICS; SURFACE; BULK; LOCALIZATION AB Electron solvation in methanol anion clusters, (MeOH)(n)(-) (n similar to 70-460), is studied by photoelectron imaging. Two isomers are observed: methanol I, with vertical binding energies (VBE) ranging from 2-2.5 eV, and methanol II, with much lower VBE's between 0.2 and 0.5 eV. The VBE's of the two isomers depend linearly on n(-1/3) with nearly identical slopes. We propose that the excess electron is internally solvated in methanol I clusters, whereas in methanol II it resides in a dipole-bound surface-state. Evidence of an excited state accessible at 1.55 eV is observed for methanol I. (c) 2006 American Institute of Physics. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Neumark, DM (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM dneumark@berkeley.edu RI Neumark, Daniel/B-9551-2009; Verlet, Jan/G-5940-2012 OI Neumark, Daniel/0000-0002-3762-9473; Verlet, Jan/0000-0002-9480-432X NR 36 TC 31 Z9 31 U1 1 U2 9 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD NOV 7 PY 2006 VL 125 IS 17 AR 171102 DI 10.1063/1.2355484 PG 4 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 102RE UT WOS:000241830200002 PM 17100420 ER PT J AU Knappenberger, KL Lerch, EBW Wen, P Leone, SR AF Knappenberger, Kenneth L., Jr. Lerch, Eliza-Beth W. Wen, Patrick Leone, Stephen R. TI Coherent polyatomic dynamics studied by femtosecond time-resolved photoelectron spectroscopy: Dissociation of vibrationally excited CS2 in the 6s and 4d Rydberg states SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID MULTIPHOTON IONIZATION SPECTROSCOPY; PULSED-FIELD IONIZATION; QUANTUM CONTROL; CARBON-DISULFIDE; LASER-PULSES; RESOLUTION; MOLECULES; MICROSCOPY; SPECTRUM; CM(-1) AB The dissociation dynamics of the 6s and 4d Rydberg states of carbon disulfide (CS2*) are studied by time-resolved photoelectron spectroscopy. The CS2 is excited by two photons of 267 nm (pump) to the 6s and 4d Rydberg states and probed by ionization with either 800 or 400 nm. The experiments can distinguish and successfully track the time dynamics of both spin [1/2] (upper) and [3/2] (lower) cores of the excited Rydberg states, which are split by 60 meV, by measuring the outgoing electron kinetic energies. Multiple mode vibrational wave packets are created within the Rydberg states and observed through recurrence interferences in the final ion state. Fourier transformation of the temporal response directly reveals the coherent population of several electronic states and vibrational modes. The composition of the wave packet is varied experimentally by tuning the excitation frequency to particular resonances between 264 and 270 nm. The work presented here shows that the decay time of the spin components exhibits sensitivity to the electronic and vibrational states accessed in the pump step. Population of the bending mode results in an excited state lifetime of as little as 530 fs, as compared to a several picosecond lifetime observed for the electronic origin bands. Experiments that probe the neutral state dynamics with 400 nm reveal a possible vibrationally mediated evolution of the wave packet to a different Franck-Condon window as a consequence of Renner-Teller splitting. Upon bending, symmetry lowering from D-infinity h to C-2v enables ionization to the CS2+ (B (2)Pi(u)) final state. The dissociation dynamics observed are highly mode specific, as revealed by the frequency and temporal domain analysis of the photoelectron spectra. (c) 2006 American Institute of Physics. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Knappenberger, KL (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM srl@berkeley.edu NR 34 TC 3 Z9 3 U1 2 U2 25 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD NOV 7 PY 2006 VL 125 IS 17 AR 174314 DI 10.1063/1.2363986 PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 102RE UT WOS:000241830200028 PM 17100446 ER PT J AU Wang, HB Skinner, DE Thoss, M AF Wang, Haobin Skinner, David E. Thoss, Michael TI Calculation of reactive flux correlation functions for systems in a condensed phase environment: A multilayer multiconfiguration time-dependent Hartree approach SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID ELECTRON-TRANSFER REACTIONS; THERMAL RATE CONSTANTS; INITIAL-VALUE REPRESENTATION; SPIN-BOSON PROBLEM; DISCRETE VARIABLE REPRESENTATION; QUANTUM DYNAMICAL SIMULATION; DISSIPATIVE 2-STATE SYSTEM; WAVE-PACKET DYNAMICS; PROPAGATING WAVEPACKETS; NONADIABATIC DYNAMICS AB A numerically exact quantum mechanical approach is proposed to evaluate thermal rate constants for systems in a model condensed phase environment. Employing the reactive flux correlation function formalism, the approach efficiently combines the multilayer multiconfiguration time-dependent Hartree theory with an importance sampling scheme for thermal distribution of the initial states. The performance of the method is illustrated by applications to two models of condensed phase dynamics: the donor-acceptor electron transfer model also known as the spin-boson model and a model for proton transfer reactions in the condensed phase. (c) 2006 American Institute of Physics. C1 New Mexico State Univ, Dept Chem & Biochem, Las Cruces, NM 88003 USA. Lawrence Berkeley Natl Lab, Natl Energy Res Sci Comp Ctr, Berkeley, CA 94720 USA. Tech Univ Munich, Dept Chem, D-85748 Garching, Germany. RP Wang, HB (reprint author), New Mexico State Univ, Dept Chem & Biochem, Las Cruces, NM 88003 USA. EM whb@intrepid.nmsu.edu; michael.thoss@ch.tum.de RI Wang, Haobin/E-1208-2011; Thoss, Michael/C-5976-2013 NR 61 TC 42 Z9 42 U1 2 U2 12 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD NOV 7 PY 2006 VL 125 IS 17 AR 174502 DI 10.1063/1.2363195 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 102RE UT WOS:000241830200031 PM 17100449 ER PT J AU Phillips, J Shiina, T Nemer, M Lester, K AF Phillips, Jonathan Shiina, Toshi Nemer, Martin Lester, Kelvin TI Graphitic structures by design SO LANGMUIR LA English DT Article ID WALL CARBON NANOTUBES; HYDROGEN SPILLOVER; FILAMENTOUS CARBON; GROWTH; MECHANISMS; PARTICLES; OXYGEN; DECOMPOSITION; ACETYLENE; MIGRATION AB It is shown that self-supporting graphitic structures of specific shape can be grown in a variety of forms, from nanoscale to macroscale, on metal templates, in a fuel-rich mixture of ethylene and oxygen at temperatures between 750 and 900 K. The evidence presented suggests graphite can be grown in any shape created from catalytic metals (e.g., Ni) under the proper conditions of temperature and gas composition. Structures produced include macroscale bodies, centimeters in dimension, composed of micrometer-scale graphite elements such as graphite "foam" and regular graphite "lattices". Nanoscale hollow graphite spheres were also produced. The production rate in the apparatus employed was roughly shown to be 1 layer/s and was steady with time over several hours. The process of producing self-supporting bodies generally produces hollow graphite structures, as the underlying metal template must be removed by acid following the completion of graphite growth. The process is believed to be possible only in an environment, such as combustion, in which a high concentration of particular radical species is present in the vicinity of the template surface. The following process is postulated: (i) a single layer of graphite is formed from gas-phase radicals by the catalytic action of the metal template, (ii) additional graphite growth is "autocatalytic" and occurs via the decomposition of radicals on the surface and the incorporation of "free" carbon atoms, or other radical fragments, into "edge sites" on the graphite surface. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Sandia Natl Labs, Carlsbad, NM 88220 USA. Univ New Mexico, Dept Mech Engn, Albuquerque, NM 87131 USA. RP Phillips, J (reprint author), Los Alamos Natl Lab, MS-E549, Los Alamos, NM 87545 USA. RI Phillips, Jonathan/D-3760-2011 NR 46 TC 25 Z9 25 U1 1 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD NOV 7 PY 2006 VL 22 IS 23 BP 9694 EP 9703 DI 10.1021/la060915c PG 10 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 100LE UT WOS:000241669800037 PM 17073499 ER PT J AU Jun, SC Plis, SM Ranken, DM Schmidt, DM AF Jun, Sung C. Plis, Sergey M. Ranken, Doug M. Schmidt, David M. TI Spatiotemporal noise covariance estimation from limited empirical magnetoencephalographic data SO PHYSICS IN MEDICINE AND BIOLOGY LA English DT Article ID SOMATOSENSORY EVOKED-POTENTIALS; INFERENCE DIPOLE ANALYSIS; SOURCE LOCALIZATION; BACKGROUND-NOISE; INVERSE PROBLEM; MEG DATA; CORTEX; RECORDINGS; BRAIN; MODEL AB The performance of parametric magnetoencephalography (MEG) and electroencephalography (EEG) source localization approaches can be degraded by the use of poor background noise covariance estimates. In general, estimation of the noise covariance for spatiotemporal analysis is difficult mainly due to the limited noise information available. Furthermore, its estimation requires a large amount of storage and a one-time but very large (and sometimes intractable) calculation or its inverse. To overcome these difficulties, noise covariance models consisting of one pair or a sum of multi-pairs of Kronecker products of spatial covariance and temporal covariance have been proposed. However, these approaches cannot be applied when the noise information is very limited, i.e., the amount of noise information is less than the degrees of freedom of the noise covariance models. A common example of this is when only averaged noise data are available for a limited prestimulus region (typically at most a few hundred milliseconds duration). For such cases, a diagonal spatiotemporal noise covariance model consisting of sensor variances with no spatial or temporal correlation has been the common choice for spatiotemporal analysis. In this work, we propose a different noise covariance model which consists of diagonal spatial noise covariance and Toeplitz temporal noise covariance. It can easily be estimated from limited noise information, and no time-consuming optimization and data-processing are required. Thus, it can be used as an alternative choice when one-pair or multi-pair noise covariance models cannot be estimated due to lack of noise information. To verify its capability we used Bayesian inference dipole analysis and a number of simulated and empirical datasets. We compared this covariance model with other existing covariance models such as conventional diagonal covariance, one-pair and multi-pair noise covariance models, when noise information is sufficient to estimate them. We found that our proposed noise covariance model yields better localization performance than a diagonal noise covariance, while it performs slightly worse than one-pair or multi-pair noise covariance models-although these require much more noise information. Finally, we present some localization results on median nerve stimulus empirical MEG data for our proposed noise covariance model. C1 Los Alamos Natl Lab, Appl Modern Phys Grp, MS D454, Los Alamos, NM 87545 USA. Univ New Mexico, Dept Comp Sci, Albuquerque, NM 87131 USA. RP Jun, SC (reprint author), Los Alamos Natl Lab, Appl Modern Phys Grp, MS D454, POB 1663, Los Alamos, NM 87545 USA. EM jschan@lanl.gov OI Plis, Sergey/0000-0003-0040-0365; JUN, SUNG CHAN/0000-0001-5357-4436 FU NIBIB NIH HHS [R01 EB000310-07] NR 24 TC 4 Z9 4 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0031-9155 J9 PHYS MED BIOL JI Phys. Med. Biol. PD NOV 7 PY 2006 VL 51 IS 21 BP 5549 EP 5564 DI 10.1088/0031-9155/51/21/011 PG 16 WC Engineering, Biomedical; Radiology, Nuclear Medicine & Medical Imaging SC Engineering; Radiology, Nuclear Medicine & Medical Imaging GA 112LZ UT WOS:000242528800011 PM 17047269 ER PT J AU Freedman, TS Sondermann, H Friedland, GD Kortemme, T Bar-Sagil, D Marqusee, S Kuriyan, J AF Freedman, Tanya S. Sondermann, Holger Friedland, Gregory D. Kortemme, Tanja Bar-Sagil, Dafna Marqusee, Susan Kuriyan, John TI A Ras-induced conformational switch in the Ras activator Son of sevenless SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE Cdc25; nucleotide-exchange factor; crystal structure; Ras exchanger motif (Rem) domain; Ras guanine nucleotide-releasing factor 1 ID GUANINE-NUCLEOTIDE EXCHANGE; EPIDERMAL-GROWTH-FACTOR; DEPENDENT ACTIVATION; SIGNAL-TRANSDUCTION; CATALYTIC DOMAIN; PROTEIN; GRB2; PHOSPHORYLATION; FLUORESCENCE; RECEPTORS AB The Ras-specific guanine nucleotide-exchange factors Son of sevenless (Sos) and Ras guanine nucleotide-releasing factor 1 (RasGRF1) transduce extracellular stimuli into Ras activation by catalyzing the exchange of Ras-bound GDP for GTP. A truncated form of RasGRF1 containing only the core catalytic Cdc25 domain is sufficient for stimulating Ras nucleotide exchange, whereas the isolated Cdc25 domain of Sos is inactive. At a site distal to the catalytic site, nucleotide-bound Ras binds to Sos, making contacts with the Cdc25 domain and with a Ras exchanger motif (Rem) domain. This allosteric Ras binding stimulates nucleotide exchange by Sos, but the mechanism by which this stimulation occurs has not been defined. We present a crystal structure of the Rem and Cdc25 domains of Sos determined at 2.0-A resolution in the absence of Ras. Differences between this structure and that of Sos bound to two Ras molecules show that allosteric activation of Sos by Ras occurs through a rotation of the Rem domain that is coupled to a rotation of a helical hairpin at the Sos catalytic site. This motion relieves steric occlusion of the catalytic site, allowing substrate Ras binding and nucleotide exchange. A structure of the isolated RasGRF1 Cdc25 domain determined at 2.2-angstrom resolution, combined with computational analyses, suggests that the Cdc25 domain of RasGRF1 is able to maintain an active conformation in isolation because the helical hairpin has strengthened interactions with the Cdc25 domain core. These results indicate that RasGRF1 lacks the allosteric activation switch that is crucial for Sos activity. C1 Univ Calif Berkeley, Dept Mol & Cell Biol, Calif Inst Quantitat Biomed Res, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. Univ Calif San Francisco, Grad Grp Biophys, San Francisco, CA 94143 USA. Univ Calif San Francisco, Dept Biopharmaceut Sci, San Francisco, CA 94143 USA. Univ Calif San Francisco, Calif Inst Quantitat Biomed Res, San Francisco, CA 94143 USA. NYU, Sch Med, Dept Biochem, New York, NY 10016 USA. RP Kuriyan, J (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, Calif Inst Quantitat Biomed Res, Berkeley, CA 94720 USA. EM kuriyan@berkeley.edu FU NCI NIH HHS [CA 28146, CA 55362, P01 CA028146, R01 CA 096504-02, R01 CA096504]; NIGMS NIH HHS [GM 50945, R01 GM050945] NR 34 TC 64 Z9 64 U1 2 U2 11 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD NOV 7 PY 2006 VL 103 IS 45 BP 16692 EP 16697 DI 10.1073/pnas.0608127103 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 104PB UT WOS:000241969500015 PM 17075039 ER PT J AU Morozovska, AN Eliseev, EA Kalinin, SV AF Morozovska, Anna N. Eliseev, Eugene A. Kalinin, Sergei V. TI Domain nucleation and hysteresis loop shape in piezoresponse force spectroscopy SO APPLIED PHYSICS LETTERS LA English DT Article ID TITANATE THIN-FILMS; FERROELECTRIC STRUCTURES; PIEZOELECTRIC RESPONSE; MICROSCOPY; POLARIZATION; DEPENDENCE; SIZE AB Electromechanical hysteresis loop measurements in piezoresponse force microscopy (PFM) [piezoresponse force spectroscopy (PFS)] have emerged as a powerful technique for probing ferroelectric switching behavior on the nanoscale. Interpretation of PFS data requires the relationship between the domain parameters and PFM signal to be established. Here, the authors analyze the switching process using modified point charge model. The charge parameters are selected to reproduce tip-induced surface potential and tip radius of curvature. The relationship between geometric parameters of semiellipsoidal domain and PFM signal is derived using linear Green's function theory. The role of domain nucleation on hysteresis loop is established. C1 Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. Natl Acad Sci Ukraine, Inst Problems Mat Sci, UA-03142 Kiev, Ukraine. Natl Acad Sci Ukraine, V Lashkaryov Inst Semicond Phys, UA-03028 Kiev, Ukraine. RP Kalinin, SV (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. EM sergei2@ornl.gov RI Kalinin, Sergei/I-9096-2012 OI Kalinin, Sergei/0000-0001-5354-6152 NR 24 TC 37 Z9 37 U1 2 U2 29 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD NOV 6 PY 2006 VL 89 IS 19 AR 192901 DI 10.1063/1.2378526 PG 3 WC Physics, Applied SC Physics GA 104LR UT WOS:000241960400066 ER PT J AU Rayner, TF Rocca-Serra, P Spellman, PT Causton, HC Farne, A Holloway, E Irizarry, RA Liu, JM Maier, DS Miller, M Petersen, K Quackenbush, J Sherlock, G Stoeckert, CJ White, J Whetzel, PL Wymore, F Parkinson, H Sarkans, U Ball, CA Brazma, A AF Rayner, Tim F. Rocca-Serra, Philippe Spellman, Paul T. Causton, Helen C. Farne, Anna Holloway, Ele Irizarry, Rafael A. Liu, Junmin Maier, Donald S. Miller, Michael Petersen, Kjell Quackenbush, John Sherlock, Gavin Stoeckert, Christian J., Jr. White, Joseph Whetzel, Patricia L. Wymore, Farrell Parkinson, Helen Sarkans, Ugis Ball, Catherine A. Brazma, Alvis TI A simple spreadsheet-based, MIAME-supportive format for microarray data: MAGE-TAB SO BMC BIOINFORMATICS LA English DT Editorial Material ID GENE-EXPRESSION DATA; INFORMATION; EXCHANGE AB Background: Sharing of microarray data within the research community has been greatly facilitated by the development of the disclosure and communication standards MIAME and MAGE-ML by the MGED Society. However, the complexity of the MAGE-ML format has made its use impractical for laboratories lacking dedicated bioinformatics support. Results: We propose a simple tab-delimited, spreadsheet-based format, MAGE-TAB, which will become a part of the MAGE microarray data standard and can be used for annotating and communicating microarray data in a MIAME compliant fashion. Conclusion: MAGE-TAB will enable laboratories without bioinformatics experience or support to manage, exchange and submit well-annotated microarray data in a standard format using a spreadsheet. The MAGE-TAB format is self-contained, and does not require an understanding of MAGE-ML or XML. C1 European Bioinformat Inst, Cambridge, England. Lawrence Berkeley Natl Lab, Berkeley, CA USA. Ctr Clin Sci, Fac Med, MRC, London, England. Johns Hopkins Univ, Sch Publ Hlth, Dept Biostat, Baltimore, MD USA. Univ Penn, Sch Med, Ctr Bioinformat, Philadelphia, PA 19104 USA. Univ Penn, Sch Med, Dept Med, Philadelphia, PA 19104 USA. Stanford Univ, Sch Med, Dept Biochem, Stanford, CA 94305 USA. Rosetta Inpharmat LLC, Rosetta Biosoftware, Seattle, WA USA. Univ Bergen, Bergen Ctr Computat Sci, Computat Biol Unit, N-5020 Bergen, Norway. Dana Farber Canc Inst, Boston, MA 02115 USA. Stanford Univ, Sch Med, Dept Genet, Stanford, CA 94305 USA. RP Rayner, TF (reprint author), European Bioinformat Inst, Wellcome Trust Genome Campus, Cambridge, England. EM rayner@ebi.ac.uk; rocca@ebi.ac.uk; ptspellman@lbl.gov; helen.causton@csc.mrc.ac.uk; farne@ebi.ac.uk; ele@ebi.ac.uk; ririzarr@jhsph.edu; junmin@pcbi.upenn.edu; dmaier@genome.stanford.edu; Michael_Miller@Rosettabio.com; Kjell.Petersen@bccs.uib.no; johnq@jimmy.harvard.edu; sherlock@genome.stanford.edu; stoeckrt@pcbi.upenn.edu; jwhite@jimmy.harvard.edu; whetzel@pcbi.upenn.edu; wymore@genome.stanford.edu; parkinso@ebi.ac.uk; ugis@ebi.ac.uk; ball@genome.stanford.edu; brazma@ebi.ac.uk RI Sherlock, Gavin/B-1831-2009; Sherlock, Gavin/E-9110-2012; OI Parkinson, Helen/0000-0003-3035-4195; Sarkans, Ugis/0000-0001-9227-8488; Sherlock, Gavin/0000-0002-1692-4983; Rayner, Tim/0000-0002-6992-5592; Brazma, Alvis/0000-0001-5988-7409 FU NHGRI NIH HHS [P41HG003619-01, R01 HG003469, P41 HG003619] NR 18 TC 103 Z9 104 U1 0 U2 6 PU BIOMED CENTRAL LTD PI LONDON PA MIDDLESEX HOUSE, 34-42 CLEVELAND ST, LONDON W1T 4LB, ENGLAND SN 1471-2105 J9 BMC BIOINFORMATICS JI BMC Bioinformatics PD NOV 6 PY 2006 VL 7 AR 489 DI 10.1186/1471-2105-7-489 PG 18 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Mathematical & Computational Biology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Mathematical & Computational Biology GA 114BX UT WOS:000242642800001 PM 17087822 ER PT J AU Shanmugam, M Engelhardt, LP Larsen, FK Luban, M McInnes, EJL Muryn, CA Overgaard, J Rentschler, E Timco, GA Winpenny, REP AF Shanmugam, Muralidharan Engelhardt, Larrv P. Larsen, Finn K. Luban, Marshall McInnes, Eric J. L. Muryn, Christopher A. Overgaard, Jacob Rentschler, Eva Timco, Grigore A. Winpenny, Richard E. P. TI Studies of a molecular hourglass: Synthesis and magnetic characterisation of a cyclic dodecanuclear {Cr10Cu2} complex SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE ab initio calculations; chromium; cluster compounds; copper; EPR spectroscopy; magnetic properties ID FERRIC WHEELS; CLUSTER; FAMILY; RINGS AB The synthesis, structure, EPR, and magnetic studies of two dodecanuclear heterometallic cyclic clusters are reported. The compounds have the general formula [R2NH2](2)[Cr10Cu2F14(O2CCMe3)(22)] (R= Me, 1 or iPr, 2). Both structures contain an array of metal centers which describe an approximate "hourglass", with an ammonium cation in the center of each half of the figure. The chromium sites are all six-coordinate, with the two copper sites five-coordinate. The majority of metal-metal edges are bridged by a single fluoride and two pivalate ligands, while two Cr-Cu edges are bridged by a single fluoride and a single pivalate. Magnetic studies show that 1 and 2 exhibit similar (but not identical) behavior, which can be attributed to ten antiferromagnetic and two ferromagnetic exchange interactions around the ring which gives an S=0 ground state. Quantum Monte Carlo calculations have been used to quantify the exchange interactions by successfully simulating the susceptibility for the full temperature range and thus clarifying the distinction between 1 and 2. EPR spectroscopy shows signals due to excited states, and a variable-temperature study has provided an estimate of the energy gap between the first excited state (S=1) and second excited state (S=2) for 1 that is consistent with the value obtained using the QMC method. C1 Univ Manchester, Sch Chem, Manchester M13 9PL, Lancs, England. Iowa State Univ Sci & Technol, Ames Lab, Dept Phys & Astron, Ames, IA 50011 USA. Aarhus Univ, Dept Chem, DK-8000 Aarhus, Denmark. Johannes Gutenberg Univ Mainz, Inst Inorgan & Analyt Chem, D-6500 Mainz, Germany. RP Luban, M (reprint author), Univ Manchester, Sch Chem, Oxford Rd, Manchester M13 9PL, Lancs, England. EM luban@ameslab.gov; richard.winpenny@manchester.ac.uk RI Rentschler, Eva/D-5291-2011; Overgaard, Jacob/C-3519-2008; OI Overgaard, Jacob/0000-0001-6492-7962 NR 30 TC 14 Z9 14 U1 0 U2 10 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0947-6539 J9 CHEM-EUR J JI Chem.-Eur. J. PD NOV 6 PY 2006 VL 12 IS 32 BP 8267 EP 8275 DI 10.1002/chem.200600827 PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 110YZ UT WOS:000242418600007 PM 17009364 ER PT J AU Puder, MG Veil, JA AF Puder, Markus G. Veil, John A. TI DOE funds new study on US off site commercial disposal of E&P waste SO OIL & GAS JOURNAL LA English DT Article C1 Argonne Natl Lab, Washington, DC USA. RP Puder, MG (reprint author), Argonne Natl Lab, Washington, DC USA. EM puder@anl.gov; jveil@anl.gov NR 2 TC 0 Z9 0 U1 0 U2 0 PU PENNWELL PUBL CO ENERGY GROUP PI TULSA PA 1421 S SHERIDAN RD PO BOX 1260, TULSA, OK 74112 USA SN 0030-1388 J9 OIL GAS J JI Oil Gas J. PD NOV 6 PY 2006 VL 104 IS 41 BP 37 EP + PG 7 WC Energy & Fuels; Engineering, Petroleum SC Energy & Fuels; Engineering GA 108TS UT WOS:000242262700012 ER PT J AU Demtsu, SH Albin, DS Pankow, JW Davies, A AF Demtsu, S. H. Albin, D. S. Pankow, J. W. Davies, A. TI Stability study of CdS/CdTe solar cells made with Ag and Ni back-contacts SO SOLAR ENERGY MATERIALS AND SOLAR CELLS LA English DT Article DE CdTe solar cells; back contact; diffusion; accelerated life testing; stability ID FILM AB The stability and performance of CdS/CdTe solar cells made using four different back contact structures was studied. Two of these device sets were made with Ag and Ni deposited on a Cu-doped graphite layer. In the remaining sets, the graphite layer was removed before the application of the Ag or Ni. For long-term stability study, all devices were subjected to elevated temperature (100 degrees C), open-circuit voltage bias, and one-sun (100 mW/cm(2)) illumination for about 707 h. In general, significantly greater device stability was observed when the graphite was present. These devices exhibited a 10-15% decrease in efficiency primarily due to fill factor loss during stress. In the absence of graphite, the Ag contact degraded faster due to the fast diffusion of Ag and the formation of metastable resistive shunts. Ni metal contacts, in contrast, were plagued by Ni3Te2 phase formation that helped minimize Ni diffusion, but also contributed to a loss in fill factor. Devices without the graphite layer showed larger reductions in efficiency ranging from 25% to 45% for Ag and Ni contacts, respectively. (c) 2006 Elsevier B.V. All rights reserved. C1 Colorado State Univ, Dept Phys, Ft Collins, CO 80523 USA. Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Demtsu, SH (reprint author), Colorado State Univ, Dept Phys, Ft Collins, CO 80523 USA. EM samdem@lamar.colostate.edu NR 17 TC 13 Z9 13 U1 6 U2 20 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0248 J9 SOL ENERG MAT SOL C JI Sol. Energy Mater. Sol. Cells PD NOV 6 PY 2006 VL 90 IS 17 BP 2934 EP 2943 DI 10.1016/j.solmat.2006.05.007 PG 10 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA 084XZ UT WOS:000240569000013 ER PT J AU Newman, JD Marshall, J Chang, M Nowroozi, F Paradise, E Pitera, D Newman, KL Keasling, JD AF Newman, Jack D. Marshall, Jessica Chang, Michelle Nowroozi, Farnaz Paradise, Eric Pitera, Douglas Newman, Karyn L. Keasling, Jay D. TI High-level production of amorpha-4,11-diene in a two-phase partitioning bioreactor of metabolically engineered Escherichia coli SO BIOTECHNOLOGY AND BIOENGINEERING LA English DT Article DE fermentation; amorphadiene; terpene; Escherichia coli; heterologous pathway ID EXPRESSION; BIOSYNTHESIS; HYDROCARBONS; PROMOTER; VECTORS; PATHWAY AB Reconstructing synthetic metabolic pathways in microbes holds great promise for the production of pharmaceuticals in large-scale fermentations. By recreating biosynthetic pathways in bacteria, complex molecules traditionally harvested from scarce natural resources can be produced in microbial cultures. Here we report on a strain of Escherichia coli containing a heterologous, nine-gene biosynthetic pathway for the production of the terpene amorpha-4,11-diene, a precursor to the anti-malarial drug artemisinin. Previous reports have underestimated the productivity of this strain due to the volatility of amorphadiene. Here we show that amorphadiene evaporates from a fermentor with a half-life of about 50 min. Using a condenser, we take advantage of this volatility by trapping the amorphadiene in the off-gas. Amorphadiene was positively identified using nuclear magnetic resonance spectroscopy and determined to be 89% pure as collected. We captured amorphadiene as it was produced in situ by employing a two-phase partitioning bioreactor with a dodecane organic phase. Using a previously characterized caryophyllene standard to calibrate amorphadiene production and capture, the concentration of amorphadiene produced was determined to be 0.5 g/L of culture medium. A standard of amorphadiene collected from the off-gas showed that the caryophyllene standard overestimated amorphadiene production by approximately 30%. (c) 2006 Wiley Periodicals, Inc. C1 Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. Univ Calif Berkeley, Calif Inst Quantitat Biomed Res, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA USA. RP Keasling, JD (reprint author), Univ Calif Berkeley, Dept Chem Engn, 717 Potter St,MC 3224, Berkeley, CA 94720 USA. EM keasling@berkeley.edu RI Keasling, Jay/J-9162-2012 OI Keasling, Jay/0000-0003-4170-6088 FU NIAID NIH HHS [5 R41 AI061936-02] NR 16 TC 115 Z9 137 U1 1 U2 37 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0006-3592 J9 BIOTECHNOL BIOENG JI Biotechnol. Bioeng. PD NOV 5 PY 2006 VL 95 IS 4 BP 684 EP 691 DI 10.1002/bit.21017 PG 8 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 094UJ UT WOS:000241264300013 PM 16878333 ER PT J AU Ercan, B Bowman, KJ Trice, RW Wang, H Porter, W AF Ercan, Batur Bowman, Keith J. Trice, Rodney W. Wang, Hsin Porter, Wally TI Effect of initial powder morphology on thermal and mechanical properties of stand-alone plasma-sprayed 7 wt.% Y2O3-ZrO2 coatings SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE thermal barrier coatings; zirconia; thermal properties; mechanical properties; yttria-stabilized zirconia ID BARRIER COATINGS; MICROSTRUCTURAL CHARACTERIZATION; ZIRCONIA; DEPOSITS; YSZ; EVOLUTION; BEHAVIOR AB The effects of starting powder morphology on the thermal and mechanical properties of stand-alone plasma-sprayed 7 wt.% Y2O3-ZrO2 (YSZ) coatings were studied. Two powder morphologies were investigated: an agglomerated and sintered powder (referred to presently as "AS") and a powder manufactured using plasma spheroidization to create hollow spheres (referred to presently as "HS"). Coatings made from AS powders contained 0.21 wt.% SiO2 impurity, twice as much as observed in coatings made from HS powders. Properties of coatings made from each powder type were compared in the as-sprayed state and after 50 h heat treatments at temperatures ranging from 1000 to 1400 degrees C. SEM microstructural investigations revealed significant differences in the porosity and distribution of pores in the coatings. In coatings made with AS powders the majority of the high aspect ratio pores were located between lamella (interlamellar porosity). In addition to interlamellar pores, coatings made with HS powders demonstrated 1.5 times more spherical -shaped globular pores by number located within lamella. Globular pores were shown to still exist in coatings made with HS powders after 50 h heat treatments at 1400 degrees C. Archimedes porosity measurements showed that coatings made with AS powders typically contained 4-5% less total porosity than coatings made with HS powders. Thermal conductivity experiments using laser flash showed that there was no difference in the thermal conductivity of coatings made from either powder type in the as-sprayed state despite higher porosity in the coatings made from HS powders. After a 50 h heat treatment at 1000 and 1200 degrees C, coatings made from both powder types still demonstrated statistically similar thermal conductivities. However, after a 50 h heat treatment at 1400 degrees C the thermal conductivity of coatings made from AS powders was found to be 0.3 W/m/K higher than coatings made from HS powders. Microstructural differences in the coatings made from the two powder types that affected sintering rates, including the increased level Of SiO2 impurities and fewer globular pores, were used to explain variations in properties. In uniaxial compression tests on stand-alone samples at 1000, 1100, and 1200 degrees C, coatings made from AS powders typically relaxed more stress than coatings made from HS powders. Differences in coating relaxation became more apparent as the test temperature increased through 1200 degrees C. The higher percentage of impurity SiO2 in the AS coatings is believed to contribute to increased relaxation via formation of a glassy phase at the grain boundaries which assists grain boundary sliding during elevated temperature deformation. (c) 2006 Elsevier B.V. All rights reserved. C1 Purdue Univ, Sch Mat Engn, W Lafayette, IN 47907 USA. Brown Univ, Div Engn, Providence, RI 02912 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Trice, RW (reprint author), Purdue Univ, Sch Mat Engn, W Lafayette, IN 47907 USA. EM rtrice@purdue.edu RI Wang, Hsin/A-1942-2013; ERCAN, BATUR/A-1232-2016 OI Wang, Hsin/0000-0003-2426-9867; ERCAN, BATUR/0000-0003-1657-1142 NR 26 TC 17 Z9 17 U1 0 U2 16 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD NOV 5 PY 2006 VL 435 BP 212 EP 220 DI 10.1016/j.msea.2006.07.085 PG 9 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 100QI UT WOS:000241683200028 ER PT J AU Datta, S Huang, M Raim, J Lograsso, TA Flatau, AB AF Datta, S. Huang, M. Raim, J. Lograsso, T. A. Flatau, A. B. TI Effect of thermal history and gallium content on magneto-mechanical properties of iron gallium alloys SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE Fe-Ga alloy; galfenol; magnetostriction; thermal expansion; X-ray diffraction; structural determination ID FE-GA ALLOYS; AT-PERCENT GA; HEAT-TREATMENT; AL ALLOYS; SYSTEM; CONSTITUTION; DEPENDENCE; DIAGRAM; MAGNETOELASTICITY; MAGNETOSTRICTION AB Thermo-mechanical and magneto-mechanical properties were studied for iron substituted with 17.5, 19.1 and 20.5 at.% gallium quenched from 1000'C and subsequently heated to 400'C and slow-cooled. A phase change was observed in the 19.1 and 20.5 at.% Ga quenched samples upon heating. X-ray diffraction studies on the single crystal samples showed that the phase change observed was due to the precipitation of D03 upon heating from the quenched state. Magneto-mechanical characterization showed that the presence of ordered D03 phase in the slow-cooled 19.1 at.% Ga sample reduced the saturation magnetostriction in comparison to the quenched sample of same composition. The magneto-mechanical properties of both the quenched and slow-cooled 17.5 at.% Ga samples were similar owing to the presence of only the disordered A2 phase in both these samples. (c) 2006 Elsevier B.V. All rights reserved. C1 Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Etrema Prod Inc, Ames, IA 50010 USA. RP Datta, S (reprint author), Univ Maryland, 3181 Martin Hall, College Pk, MD 20742 USA. EM supratik@umd.edu NR 14 TC 28 Z9 29 U1 0 U2 7 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD NOV 5 PY 2006 VL 435 BP 221 EP 227 DI 10.1016/j.msea.2006.07.115 PG 7 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 100QI UT WOS:000241683200029 ER PT J AU Zhang, WW CUlley, DE Gritsenko, MA Moore, RJ Nie, L Scholten, JCM Petritis, K Strittmatter, EF Camp, DG Smith, RD Brockman, FJ AF Zhang, Weiwen Culley, David E. Gritsenko, Marina A. Moore, Ronald J. Nie, Lei Scholten, Johannes C. M. Petritis, Konstantinos Strittmatter, Eric F. Camp, David G., II Smith, Richard D. Brockman, Fred J. TI LC-MS/MS based proteomic analysis and functional inference of hypothetical proteins in Desulfovibrio vulgaris SO BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS LA English DT Article DE mass spectrometry; hypothetical proteins; function; Desulfovibrio vulgaris ID SHEWANELLA-ONEIDENSIS MR-1; GRAM-NEGATIVE BACTERIA; COMPARATIVE GENOMICS; SULFATE TRANSPORTER; HILDENBOROUGH; EXPRESSION; GENES; STRESS; DOMAIN; IDENTIFICATION AB High efficiency capillary liquid chromatography-tandem mass spectrometry (LC-MS/MS) was used to examine the proteins extracted from Desulfovibrio vulgaris cells across six treatment conditions. While our previous study provided a proteomic overview of the cellular metabolism based on proteins with known functions [W. Zhang, M.A. Gritsenko, R.J. Moore, D.E. Culley, L. Nie, K. Petritis, E.F. Strittmatter, D.G. Camp II, R.D. Smith, F.J. Brockman, A proteomic view of the metabolism in Desulfovibrio vulgaris determined by liquid chromatography coupled with tandem mass spectrometry, Proteomics 6 (2006) 4286-4299], this study describes the global detection and functional inference for hypothetical D. vulgaris proteins. Using criteria that a given peptide of a protein is identified from at least two out of three independent LC-MS/MS measurements and that for any protein at least two different peptides are identified among the three measurements, 129 open reading frames (ORFs) originally annotated as hypothetical proteins were found to encode expressed proteins. Functional inference for the conserved hypothetical proteins was performed by a combination of several non-homology based methods: genomic context analysis, phylogenomic profiling, and analysis of a combination of experimental information, including peptide detection in cells grown under specific culture conditions and cellular location of the proteins. Using this approach we were able to assign possible functions to 20 conserved hypothetical proteins. This study demonstrated that a combination of proteomics and bioinformatics methodologies can provide verification of the expression of hypothetical proteins and improve genome annotation. (c) 2006 Published by Elsevier Inc. C1 Pacific NW Natl Lab, Microbiol Grp, Richland, WA 99352 USA. Pacific NW Natl Lab, Biol Syst Anal & Mass Spectrometry Grp, Richland, WA 99352 USA. Georgetown Univ, Dept Biostat Biomath & Bioinformat, Washington, DC 20057 USA. RP Zhang, WW (reprint author), Pacific NW Natl Lab, Microbiol Grp, 902 Battelle Blvd,POB 999, Richland, WA 99352 USA. EM Weiwen.Zhang@pnl.gov RI Petritis, Konstantinos/F-2156-2010; Smith, Richard/J-3664-2012 OI Smith, Richard/0000-0002-2381-2349 NR 40 TC 10 Z9 11 U1 0 U2 5 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0006-291X J9 BIOCHEM BIOPH RES CO JI Biochem. Biophys. Res. Commun. PD NOV 3 PY 2006 VL 349 IS 4 BP 1412 EP 1419 DI 10.1016/j.bbrc.2006.09.019 PG 8 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 091YS UT WOS:000241064800035 PM 16982031 ER PT J AU Gritti, F Guiochon, G AF Gritti, Fabrice Guiochon, Georges TI Effect of the density of the C-18 surface coverage on the adsorption mechanism of a cationic compound and on the silanol activity of the stationary phase in reversed phase liquid chromatography SO JOURNAL OF CHROMATOGRAPHY A LA English DT Article DE RPLC; C-18 bonding density; adsorption heterogeneity; adsorption energy distribution; frontal analysis; frontal analysis by a characteristic point; isotherm; retention mechanism; amitriptyline chloride; silica-C-18; endcapping ID ALKYL CHAIN-LENGTH; IONIZABLE COMPOUNDS; COLUMN SELECTIVITY; LIGAND DENSITY; BAND PROFILES; MOBILE-PHASE; RETENTION; BEHAVIOR; BUFFER; PH AB RPLC columns with different surface coverages (a C-1 endcapped column with a bonding density of 3.92 mu mol/m(2) and four C-18-bonded, endcapped columns, with octadecyl chain densities of 0.42, 1.01, 2.03, and 3.15 mu mol/m(2)) were used to investigate the effects of the density of the surface coverage of RPLC columns on the adsorption mechanism of a cationic compound, amitriptyline chloride, and on the silanol activity of these columns. The mobile phases used were acetonitrile-water (30/70, v/v) solutions, buffered at either pH 2.7 or pH 6.9. At pH 2.7, the residual silanol groups are not ionized. At pH 6.9, some of these groups are ionized and these surface anions can strongly interact with the cationic compound. The adsorption isotherms were measured by frontal analysis (FA) at pH 2.7 and by frontal analysis by characteristic points (FACP) at pH 6.9, because the very high retention observed at neutral pH made FA measurements excessively long and poorly accurate. The adsorption energy distributions (AEDs) were calculated when possible, according to the expectation-maximization (EM) algorithm. A bimodal and a trimodal energy distribution were found for all the columns at pH 2.7 and 6.9, respectively. The third site measured at pH 6.9 was attributed to the strong ion-exchange interactions between the ionized silanol groups and the amitriptylinium cation. The contribution of the ionized silanol groups to the overall retention is maximum for the phases with intermediary bonding densities (1.01 and 2.03 mu mol/m(2)). The peak tailing is most pronounced for the lowest (C-1 column) and the highest (3.15 mu mol/m(2)) surface coverages. (c) 2006 Elsevier B.V All rights reserved. C1 Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. RP Guiochon, G (reprint author), Oak Ridge Natl Lab, Div Chem Sci, POB 2008, Oak Ridge, TN 37831 USA. EM guiochon@utk.edu NR 33 TC 15 Z9 16 U1 0 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0021-9673 J9 J CHROMATOGR A JI J. Chromatogr. A PD NOV 3 PY 2006 VL 1132 IS 1-2 BP 51 EP 66 DI 10.1016/j.chroma.2006.07.002 PG 16 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 098QR UT WOS:000241538400007 PM 16875696 ER PT J AU Zhang, B VerBerkmoes, NC Langston, MA Uberbacher, E Hettich, RL Samatova, NF AF Zhang, Bing VerBerkmoes, Nathan C. Langston, Michael A. Uberbacher, Edward Hettich, Robert L. Samatova, Nagiza F. TI Detecting differential and correlated protein expression in label-free shotgun proteomics SO JOURNAL OF PROTEOME RESEARCH LA English DT Article DE label-free; LC-MS/MS; shotgun proteomics; differential expression; correlated expression; clustering; Saccharomyces cerevisiae; Rhodopseudomonas palustris ID MASS-SPECTROMETRY; GENE; NETWORKS; GROEL; MODEL; YEAST; LIFE AB Recent studies have revealed a relationship between protein abundance and sampling statistics, such as sequence coverage, peptide count, and spectral count, in label-free liquid chromatography-tandem mass spectrometry (LC-MS/MS) shotgun proteomics. The use of sampling statistics offers a promising method of measuring relative protein abundance and detecting differentially expressed or coexpressed proteins. We performed a systematic analysis of various approaches to quantifying differential protein expression in eukaryotic Saccharomyces cerevisiae and prokaryotic Rhodopseudomonas palustris label-free LC-MS/MS data. First, we showed that, among three sampling statistics, the spectral count has the highest technical reproducibility, followed by the less-reproducible peptide count and relatively nonreproducible sequence coverage. Second, we used spectral count statistics to measure differential protein expression in pairwise experiments using five statistical tests: Fisher's exact test, G-test, AC test, t-test, and LPE test. Given the S. cerevisiae data set with spiked proteins as a benchmark and the false positive rate as a metric, our evaluation suggested that the Fisher's exact test, G-test, and AC test can be used when the number of replications is limited (one or two), whereas the t-test is useful with three or more replicates available. Third, we generalized the G-test to increase the sensitivity of detecting differential protein expression under multiple experimental conditions. Out of 1622 identified R. palustris proteins in the LC-MS/MS experiment, the generalized G-test detected 1119 differentially expressed proteins under six growth conditions. Finally, we studied correlated expression of these 1119 proteins by analyzing pairwise expression correlations and by delineating protein clusters according to expression patterns. Through pairwise expression correlation analysis, we demonstrated that proteins co-located in the same operon were much more strongly coexpressed than those from different operons. Combining cluster analysis with existing protein functional annotations, we identified six protein clusters with known biological significance. In summary, the proposed generalized G-test using spectral count sampling statistics is a viable methodology for robust quantification of relative protein abundance and for sensitive detection of biologically significant differential protein expression under multiple experimental conditions in label-free shotgun proteomics. C1 Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Computat Biol Inst, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Div Life Sci, Oak Ridge, TN 37831 USA. Univ Tennessee, Dept Comp Sci, Knoxville, TN 37996 USA. RP Zhang, B (reprint author), Oak Ridge Natl Lab, Comp Sci & Math Div, POB 2008, Oak Ridge, TN 37831 USA. EM bing.zhang@vanderbilt.edu; samatovan@ornl.gov RI Langston, Michael/A-9484-2011; Hettich, Robert/N-1458-2016 OI Hettich, Robert/0000-0001-7708-786X NR 35 TC 260 Z9 265 U1 3 U2 46 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1535-3893 J9 J PROTEOME RES JI J. Proteome Res. PD NOV 3 PY 2006 VL 5 IS 11 BP 2909 EP 2918 DI 10.1021/pr0600273 PG 10 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 101QL UT WOS:000241755400004 PM 17081042 ER PT J AU Valentine, SJ Plasencia, MD Liu, XY Krishnan, M Naylor, S Udseth, HR Smith, RD Clemmer, DE AF Valentine, Stephen J. Plasencia, Manolo D. Liu, Xiaoyun Krishnan, Meera Naylor, Stephen Udseth, Harold R. Smith, Richard D. Clemmer, David E. TI Toward plasma proteome profiling with ion mobility-mass spectrometry SO JOURNAL OF PROTEOME RESEARCH LA English DT Article DE ion mobility spectrometry; proteome profiling; multidimensional separations ID GAS-PHASE SEPARATIONS; HUMAN SERUM PROTEOME; 2-DIMENSIONAL ELECTROPHORESIS; LIQUID-CHROMATOGRAPHY; DRIFT-TUBE; IDENTIFICATION TECHNOLOGY; DROSOPHILA-MELANOGASTER; PEPTIDE MIXTURES; SYSTEMS BIOLOGY; PROSTATE-CANCER AB Differential, functional, and mapping proteomic analyses of complex biological mixtures suffer from a lack of component resolution. Here we describe the application of ion mobility-mass spectrometry (IMSMS) to this problem. With this approach, components that are separated by liquid chromatography are dispersed based on differences in their mobilities through a buffer gas prior to being analyzed by MS. The inclusion of the gas-phase dispersion provides more than an order of magnitude enhancement in component resolution at no cost to data acquisition time. Additionally, the mobility separation often removes high-abundance species from spectral regions containing low-abundance species, effectively increasing measurement sensitivity and dynamic range. Finally, collision-induced dissociation of all ions can be recorded in a single experimental sequence while conventional MS methods sequentially select precursors. The approach is demonstrated in a single, rapid (3.3 h) analysis of a plasma digest sample where abundant proteins have not been removed. Protein database searches have yielded 731 high confidence peptide assignments corresponding to 438 unique proteins. Results have been compiled into an initial analytical map to be used - after further augmentation and refinement- for comparative plasma profiling studies. C1 Indiana Univ, Dept Chem, Bloomington, IN 47405 USA. Boston Univ, Sch Med, Dept Genet & Genom, Boston, MA 02118 USA. MIT, Div Biol Engn & Computat Syst Biol, Cambridge, MA 02139 USA. Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Clemmer, DE (reprint author), Indiana Univ, Dept Chem, Bloomington, IN 47405 USA. EM clemmer@indiana.edu RI Smith, Richard/J-3664-2012 OI Smith, Richard/0000-0002-2381-2349 FU NCRR NIH HHS [RR 18522, P41-RR018942]; NHLBI NIH HHS [1R43HL082382]; NIA NIH HHS [AG-024547] NR 83 TC 93 Z9 94 U1 2 U2 13 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1535-3893 J9 J PROTEOME RES JI J. Proteome Res. PD NOV 3 PY 2006 VL 5 IS 11 BP 2977 EP 2984 DI 10.1021/pr060232i PG 8 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 101QL UT WOS:000241755400011 PM 17081049 ER PT J AU Hixson, KK Adkins, JN Baker, SE Moore, RJ Chromy, BA Smith, RD McCutchen-Maloney, SL Lipton, MS AF Hixson, Kim K. Adkins, Joshua N. Baker, Scott E. Moore, Ronald J. Chromy, Brett A. Smith, Richard D. McCutchen-Maloney, Sandra L. Lipton, Mary S. TI Biomarker candidate identification in Yersinia pestis using organism-wide semiquantitative proteomics SO JOURNAL OF PROTEOME RESEARCH LA English DT Article DE biomarker; Yersinia; HPLC; mass spectrometry; relative quantitation ID TANDEM MASS-SPECTROMETRY; III SECRETION SYSTEM; TARGET-CELL CONTACT; LIQUID-CHROMATOGRAPHY; ACCURATE MASS; ESCHERICHIA-COLI; VIRULENCE GENES; TAG STRATEGY; V-ANTIGEN; PROTEIN AB The accurate mass and time tag mass spectrometry method and clustering analysis were used to compare the abundance change of 992 Yersinia pestis proteins under four contrasting growth conditions (26 and 37 degrees C, with or without Ca(2+)) that mimicked growth states in either a flea vector or mammalian host. Eighty-nine proteins were observed to have similar abundance change profiles to 29 known virulence associated proteins, providing identification of additional biomarker candidates. Eighty-seven hypothetical proteins, which clustered into 5 distinct clusters of like-protein abundance change, were identified as unique biomarkers related specifically to growth condition. C1 Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. Pacific NW Natl Lab, Chem & Biol Proc Dev Grp, Environm Technol Directorate, Richland, WA 99352 USA. Lawrence Livermore Natl Lab, Biodef Div, Livermore, CA USA. RP Lipton, MS (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. EM Mary.Lipton@pnl.gov RI Smith, Richard/J-3664-2012; Adkins, Joshua/B-9881-2013 OI Smith, Richard/0000-0002-2381-2349; Adkins, Joshua/0000-0003-0399-0700 NR 46 TC 37 Z9 39 U1 1 U2 5 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1535-3893 J9 J PROTEOME RES JI J. Proteome Res. PD NOV 3 PY 2006 VL 5 IS 11 BP 3008 EP 3017 DI 10.1021/pr060179y PG 10 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 101QL UT WOS:000241755400014 PM 17081052 ER PT J AU Savidor, A Donahoo, RS Hurtado-Gonzales, O VerBerkmoes, NC Shah, MB Lamour, KH McDonald, WH AF Savidor, Alon Donahoo, Ryan S. Hurtado-Gonzales, Oscar VerBerkmoes, Nathan C. Shah, Manesh B. Lamour, Kurt H. McDonald, W. Hayes TI Expressed peptide tags: An additional layer of data for genome annotation SO JOURNAL OF PROTEOME RESEARCH LA English DT Article DE mass spectrometry; proteomics; shotgun proteomics; six-frame translation; genome annotation; expressed peptide tags ID PROTEIN IDENTIFICATION TECHNOLOGY; AMINO-ACID-SEQUENCES; TANDEM MASS-SPECTRA; SHOTGUN PROTEOMICS; RHODOPSEUDOMONAS-PALUSTRIS; COMPUTATIONAL ANALYSIS; COMPLEX-MIXTURES; YEAST PROTEOME; SPECTROMETRY; MS/MS AB While genome sequencing is becoming ever more routine, genome annotation remains a challenging process. Identification of the coding sequences within the genomic milieu presents a tremendous challenge, especially for eukaryotes with their complex gene architectures. Here, we present a method to assist the annotation process through the use of proteomic data and bioinformatics. Mass spectra of digested protein preparations of the organism of interest were acquired and searched against a protein database created by a six-frame translation of the genome. The identified peptides were mapped back to the genome, compared to the current annotation, and then categorized as supporting or extending the current genome annotation. We named the classified peptides Expressed Peptide Tags (EPTs). The well-annotated bacterium Rhodopseudomonas palustris was used as a control for the method and showed a high degree of correlation between EPT mapping and the current annotation, with 86% of the EPTs confirming existing gene calls and less than 1% of the EPTs expanding on the current annotation. The eukaryotic plant pathogens Phytophthora ramorum and Phytophthora sojae, whose genomes have been recently sequenced and are much less well-annotated, were also subjected to this method. A series of algorithmic steps were taken to increase the confidence of EPT identification for these organisms, including generation of smaller subdatabases to be searched against, and definition of EPT criteria that accommodates the more complex eukaryotic gene architecture. As expected, the analysis of the Phytophthora species showed less correlation between EPT mapping and their current annotation. While similar to 76% of Phytophthora EPTs supported the current annotation, a portion of them (7.7% and 12.9% for P. ramorum and P. sojae, respectively) suggested modification to current gene calls or identified novel genes that were missed by the current genome annotation of these organisms. C1 Univ Tennessee, Oak Ridge Natl Lab, Grad Sch Genome Sci & Technol, Oak Ridge, TN 37830 USA. Univ Tennessee, Dept Entomol & Plant Pathol, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Div Life Sci, Oak Ridge, TN 37830 USA. RP McDonald, WH (reprint author), Univ Tennessee, Oak Ridge Natl Lab, Grad Sch Genome Sci & Technol, Oak Ridge, TN 37830 USA. EM mcdonaldwh@ornl.gov RI McDonald, W. Hayes/B-4109-2016 OI McDonald, W. Hayes/0000-0002-3510-426X NR 46 TC 25 Z9 26 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1535-3893 J9 J PROTEOME RES JI J. Proteome Res. PD NOV 3 PY 2006 VL 5 IS 11 BP 3048 EP 3058 DI 10.1021/pr060134x PG 11 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 101QL UT WOS:000241755400018 PM 17081056 ER PT J AU Dzero, M Norman, MR Paul, I Pepin, C Schmalian, J AF Dzero, M. Norman, M. R. Paul, I. Pepin, C. Schmalian, J. TI Quantum critical end point for the Kondo volume collapse model SO PHYSICAL REVIEW LETTERS LA English DT Article ID GAMMA-ALPHA-TRANSITION; LATTICE; ELECTRON; BEHAVIOR; CECU2SI2; SYSTEMS; CERIUM AB The Kondo volume collapse describes valence transitions in f-electron metals and is characterized by a line of first order transitions in the pressure-temperature phase plane terminated at critical end points. We analyze the quantum critical end point, when the lower end point is tuned to T=0, and determine the specific heat, thermal expansion, and compressibility. We find that the inclusion of quantum critical fluctuations leads to a novel bifurcation of the first order phase line. Finally, we show that critical strain fluctuations can cause both, superconductivity and non-Fermi liquid behavior near the critical point. C1 Iowa State Univ Sci & Technol, Dept Phys & Astron, Ames, IA 50011 USA. Iowa State Univ Sci & Technol, Ames Lab, Ames, IA 50011 USA. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. CEA Saclay, SPhT, F-91191 Gif Sur Yvette, France. RP Dzero, M (reprint author), Iowa State Univ Sci & Technol, Dept Phys & Astron, Ames, IA 50011 USA. RI Schmalian, Joerg/H-2313-2011; Norman, Michael/C-3644-2013 NR 22 TC 18 Z9 18 U1 0 U2 6 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD NOV 3 PY 2006 VL 97 IS 18 AR 185701 DI 10.1103/PhysRevLett.97.185701 PG 4 WC Physics, Multidisciplinary SC Physics GA 101RH UT WOS:000241757600036 PM 17155553 ER PT J AU Liu, H Rajagopal, K Wiedemann, UA AF Liu, Hong Rajagopal, Krishna Wiedemann, Urs Achim TI Calculating the jet quenching parameter SO PHYSICAL REVIEW LETTERS LA English DT Article ID QUARK-GLUON PLASMA; NUCLEUS-NUCLEUS COLLISIONS; DE-SITTER SUPERGRAVITY; RADIATIVE ENERGY-LOSS; N GAUGE-THEORY; FINITE-TEMPERATURE; WILSON LOOPS; COLLABORATION; PERSPECTIVE; MATTER AB Models of medium-induced radiative parton energy loss account for the strong suppression of high-p(T) hadron spectra in root s(NN)=200 GeV Au-Au collisions at BNL RHIC in terms of a single "jet quenching parameter" q. We observe that q can be given a model-independent, nonperturbative, quantum field theoretic definition in terms of the short-distance behavior of a particular lightlike Wilson loop. We then use the anti-de Sitter/conformal-field-theory correspondence to obtain a strong-coupling calculation of q in hot N=4 supersymmetric QCD, finding q(SYM)=26.69 root alpha SYMNcT3 in the limit in which both N-c and 4 pi alpha N-SYM(c) are large. Thus, at strong coupling q is not proportional to the entropy density s, or to some "number density of scatterers" since, unlike the number of degrees of freedom, q does not grow like N-c(2). C1 MIT, Ctr Theoret Phys, Cambridge, MA 02139 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Nucl Sci, Berkeley, CA 94720 USA. SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. Brookhaven Natl Lab, RIKEN, Res Ctr, Upton, NY 11973 USA. RP Liu, H (reprint author), MIT, Ctr Theoret Phys, 77 Massachusetts Ave, Cambridge, MA 02139 USA. NR 45 TC 276 Z9 276 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD NOV 3 PY 2006 VL 97 IS 18 AR 182301 DI 10.1103/PhysRevLett.97.182301 PG 4 WC Physics, Multidisciplinary SC Physics GA 101RH UT WOS:000241757600020 PM 17155537 ER PT J AU Main, DS Newman, DL Ergun, RE AF Main, D. S. Newman, D. L. Ergun, R. E. TI Double layers and ion phase-space holes in the auroral upward-current region SO PHYSICAL REVIEW LETTERS LA English DT Article ID PARALLEL ELECTRIC-FIELDS; ACCELERATION REGION; 2-STREAM INSTABILITY; SOLITARY WAVES; SIMULATIONS; PLASMA; VIKING AB The dynamic evolution of the boundary between the ionosphere and auroral cavity is studied using 1D and 2D kinetic Vlasov simulations. The initial distributions of three singly ionized species (H+, O+, e(-)) are determined from space-based observations on both sides of an inferred strong double layer. The kinetic simulations reproduce features of parallel electric fields, electron distributions, ion distributions, and wave turbulence seen in satellite observations in the auroral upward-current region and, for the first time, demonstrate that auroral acceleration can be driven by a parallel electric field supported, in part, by a quasistable, strong double layer. In addition, the simulations verify that the streaming interaction between accelerated O+ and H+ populations continuously replenished by the double layer provides the free energy for the persistent formation of ion phase-space holes. C1 Univ Colorado, Atmospher & Space Phys Lab, Boulder, CO 80309 USA. Univ Colorado, Ctr Integrated Plasma Studies, Boulder, CO 80309 USA. RP Main, DS (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 21 TC 29 Z9 29 U1 0 U2 0 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD NOV 3 PY 2006 VL 97 IS 18 AR 185001 DI 10.1103/PhysRevLett.97.185001 PG 4 WC Physics, Multidisciplinary SC Physics GA 101RH UT WOS:000241757600032 PM 17155549 ER PT J AU Pride, SR Masson, YJ AF Pride, Steven R. Masson, Yder J. TI Acoustic attenuation in self-affine porous structures SO PHYSICAL REVIEW LETTERS LA English DT Article ID ELASTIC-WAVES; MEDIA; ROCKS; PROPAGATION AB As acoustic waves propagate through fluid-filled porous materials possessing heterogeneity in the elastic compressibility at scales less than wavelengths, the local wave-induced fluid-pressure response will also possess spatial heterogeneity that correlates with the compressibility structure. Such induced fluid-pressure gradients equilibrate via fluid-pressure diffusion causing wave energy to attenuate. This process is numerically simulated using finite-difference modeling. It is shown here, both numerically and analytically, that in the special case where the compressibility structure is a self-affine fractal characterized by a Hurst exponent H, the wave's quality factor Q (where Q(-1) is a measure of acoustic attenuation) is a power law in the wave's frequency omega given by Q proportional to omega(H) when vertical bar H vertical bar < 1, and given by Q proportional to omega(H) in general. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. RP Pride, SR (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd MS 90-1116, Berkeley, CA 94720 USA. EM srpride@lbl.gov; yder_masson@berkeley.edu RI masson, yder/K-8264-2012; OI masson, yder/0000-0001-6884-8823 NR 18 TC 11 Z9 11 U1 0 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD NOV 3 PY 2006 VL 97 IS 18 AR 184301 DI 10.1103/PhysRevLett.97.184301 PG 4 WC Physics, Multidisciplinary SC Physics GA 101RH UT WOS:000241757600026 PM 17155543 ER PT J AU Prabhakar, S Noonan, JP Paabo, S Rubin, EM AF Prabhakar, Shyam Noonan, James P. Paeaebo, Svante Rubin, Edward M. TI Accelerated evolution of conserved noncoding sequences in humans SO SCIENCE LA English DT Article C1 US DOE, Joint Genome Inst, Walnut Breek, CA 94598 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Genom Div, Berkeley, CA 94720 USA. Max Planck Inst Evolutionary Anthropol, D-04103 Leipzig, Germany. RP Rubin, EM (reprint author), US DOE, Joint Genome Inst, Walnut Breek, CA 94598 USA. EM emrubin@lbl.gov FU NHLBI NIH HHS [HL066681]; NIGMS NIH HHS [1-F32-GM074367] NR 2 TC 204 Z9 210 U1 4 U2 30 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD NOV 3 PY 2006 VL 314 IS 5800 BP 786 EP 786 DI 10.1126/science.1130738 PG 1 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 101GR UT WOS:000241729800036 PM 17082449 ER PT J AU Yano, J Kern, J Sauer, K Latimer, MJ Pushkar, Y Biesiadka, J Loll, B Saenger, W Messinger, J Zouni, A Yachandra, VK AF Yano, Junko Kern, Jan Sauer, Kenneth Latimer, Matthew J. Pushkar, Yulia Biesiadka, Jacek Loll, Bernhard Saenger, Wolfram Messinger, Johannes Zouni, Athina Yachandra, Vittal K. TI Where water is oxidized to dioxygen: Structure of the photosynthetic Mn4Ca cluster SO SCIENCE LA English DT Article ID OXYGEN-EVOLVING COMPLEX; PHOTOSYSTEM-II; MN-CLUSTER; CRYSTAL-STRUCTURE; S-0 STATE; UNDERGOES OXIDATION; ANGSTROM RESOLUTION; SINGLE-CRYSTALS; D1 POLYPEPTIDE; MANGANESE ION AB The oxidation of water to dioxygen is catalyzed within photosystem II ( PSII) by a Mn4Ca cluster, the structure of which remains elusive. Polarized extended x-ray absorption fine structure (EXAFS) measurements on PSII single crystals constrain the Mn4Ca cluster geometry to a set of three similar high-resolution structures. Combining polarized EXAFS and x-ray diffraction data, the cluster was placed within PSII, taking into account the overall trend of the electron density of the metal site and the putative ligands. The structure of the cluster from the present study is unlike either the 3.0 or 3.5 angstrom - resolution x-ray structures or other previously proposed models. C1 Max Planck Inst Bioorgan Chem, D-45470 Mulheim, Germany. Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Melvin Calvin Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Tech Univ Berlin, Max Volmer Lab Biophys Chem, D-10623 Berlin, Germany. Stanford Synchrotron Radiat Lab, Stanford, CA 94305 USA. Free Univ Berlin, Inst Chem & Biochem Kristallog, D-14195 Berlin, Germany. RP Messinger, J (reprint author), Max Planck Inst Bioorgan Chem, Stiftstr 34-36, D-45470 Mulheim, Germany. EM messinger@mpi-muelheim.mpg.de; zouni@phosis1.chem.tu-berlin.de; vkyachandra@lbl.gov RI Kern, Jan/G-2586-2013 OI Kern, Jan/0000-0002-7272-1603 FU NIGMS NIH HHS [GM 55302, R01 GM055302, R56 GM055302] NR 28 TC 558 Z9 566 U1 19 U2 152 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD NOV 3 PY 2006 VL 314 IS 5800 BP 821 EP 825 DI 10.1126/science.1128186 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 101GR UT WOS:000241729800048 PM 17082458 ER PT J AU Bertino, MF Sun, ZM Zhang, R Wang, LS AF Bertino, Massimo F. Sun, Zhong-Ming Zhang, Rui Wang, Lai-Sheng TI Facile syntheses of monodisperse ultrasmall Au clusters SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID RAY STRUCTURE DETERMINATION; UNDECAGOLD CLUSTERS; GOLD NANOPARTICLES; CATALYSIS; COMPOUND; BIOLOGY; NOBLE; AU-20 AB During our effort to synthesize the tetrahedral Au-20 cluster, we found a facile synthetic route to prepare monodisperse suspensions of ultrasmall Au clusters Au-N (N < 12) using diphosphine ligands. In our monophasic and single-pot synthesis, a Au precursor ClAu(I)PPh3 (Ph = phenyl) and a bidentate phosphine ligand P(Ph)(2)(CH2)(M)P(Ph)(2) are dissolved in an organic solvent. Au(I) is reduced slowly by a borane-tert-butylamine complex to form Au clusters coordinated by the diphosphine ligand. The Au clusters are characterized by both high-resolution mass spectrometry and UV-vis absorption spectroscopy. We found that the mean cluster size obtained depends on the chain length M of the ligand. In particular, a single monodispersed Au-11 cluster is obtained with the P(Ph)(2)(CH2)(3)P(Ph)(2) ligand, whereas P(Ph)(2)(CH2)(M)P(Ph)(2) ligands with M = 5 and 6 yield Au-10 and Au-8 clusters. The simplicity of our synthetic method makes it suitable for large-scale production of nearly monodisperse ultrasmall Au clusters. It is suggested that diphosphines provide a set of flexible ligands to allow size-controlled synthesis of Au nanoparticles. C1 Univ Missouri, Dept Phys, Rolla, MO 65409 USA. Washington State Univ, Dept Phys, Richland, WA 99354 USA. Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. Pacific NW Natl Lab, WR Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. RP Bertino, MF (reprint author), Univ Missouri, Dept Phys, Rolla, MO 65409 USA. NR 28 TC 92 Z9 92 U1 8 U2 68 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD NOV 2 PY 2006 VL 110 IS 43 BP 21416 EP 21418 DI 10.1021/jp065227g PG 3 WC Chemistry, Physical SC Chemistry GA 098WL UT WOS:000241553500007 PM 17064088 ER PT J AU Ning, LX Edvardsson, S Aberg, D AF Ning, Lixin Edvardsson, Sverker Aberg, Daniel TI Dynamic intensity model calculation of vibronic oscillator strengths for Cs2NaNdCl6: A molecular dynamics study SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID RARE-EARTH IONS; F-F TRANSITIONS; 4F-4F TRANSITIONS; ENERGY-LEVELS; SPECTROSCOPIC PROPERTIES; ABSORPTION; CRYSTAL; SPECTRA; PARAMETERS; POLARIZABILITIES AB We present here a dynamic intensity model calculation of vibronic oscillator strengths for the Cs2NaNdCl6 compound by applying the method of molecular-dynamics simulation (MDS). The force field parameters used for the MDS reproduce the structure and several vibrational frequencies of Cs2NaNdCl6 very well. Both the static-coupling (SC) and dynamic-coupling (DC) mechanisms are taken into account for the intensity parameter calculations, in which the effective point charges and isotropic polarizabilities are optimized with respect to experimental energy levels. A comparison of intensity parameters and vibronic oscillator strengths between the two individual mechanisms indicates that the DC mechanism is operative. The calculated vibronic oscillator strengths for the combined SC and DC mechanism agree quite well with the available experimental values. C1 Mid Sweden Univ, Dept Phys Elect & Photon, S-85170 Sundsvall, Sweden. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Ning, LX (reprint author), Mid Sweden Univ, Dept Phys Elect & Photon, S-85170 Sundsvall, Sweden. NR 39 TC 1 Z9 1 U1 1 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD NOV 2 PY 2006 VL 110 IS 43 BP 21424 EP 21429 DI 10.1021/jp062930w PG 6 WC Chemistry, Physical SC Chemistry GA 098WL UT WOS:000241553500009 PM 17064090 ER PT J AU Zhang, Z Bondarchuk, O Kay, BD White, JM Dohnalek, Z AF Zhang, Z. Bondarchuk, O. Kay, Bruce D. White, J. M. Dohnalek, Z. TI Imaging water dissociation on TiO2(110): Evidence for inequivalent geminate OH groups SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID SURFACE; H2O; ADSORPTION; DIFFUSION; OXYGEN; TIO2; DEFECTS; STM; O-2 AB Identical regions of partially reduced TiO2(110) surfaces with bridge-bonded oxygen vacancy (BBOV) concentrations of similar to 10% ML (1 ML = 5.2 x 10(14) cm(-2)) were imaged using scanning tunneling microscopy (STM) before and after dosing H2O at ambient temperature (similar to 300 K). Atomically resolved images confirm that H2O adsorbs dissociatively on the BBOV sites, producing two hydroxyl species, one positioned at BBOv and denoted OHV and the other, denoted OHB, formed by protonation at either of the two nearest-neighbor bridge-bonded oxygen atoms. Hydrogen hopping along the [001] direction is observed at ambient temperature, with a strong preference for OHB (similar to 10x) hydrogen motion. This powerful imbalance demonstrates the inequality of OHV and OHB and suggests differences in their charge and/or binding configuration. C1 Univ Texas, Dept Chem & Biochem, Ctr Mat Chem, Austin, TX 78712 USA. Pacific NW Natl Lab, Fundamental Sci Directorate, Richland, WA 99352 USA. Pacific NW Natl Lab, Inst Interfacial Catalysis, Richland, WA 99352 USA. RP White, JM (reprint author), Univ Texas, Dept Chem & Biochem, Ctr Mat Chem, Austin, TX 78712 USA. EM JMWhite@mail.utexas.edu; Zdenek.Dohnalek@pnl.gov NR 22 TC 128 Z9 129 U1 8 U2 64 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD NOV 2 PY 2006 VL 110 IS 43 BP 21840 EP 21845 DI 10.1021/jp063619h PG 6 WC Chemistry, Physical SC Chemistry GA 098WL UT WOS:000241553500067 PM 17064148 ER PT J AU Shvartsburg, AA Bryskiewicz, T Purves, RW Tang, KQ Guevremont, R Smith, RD AF Shvartsburg, Alexandre A. Bryskiewicz, Tadeusz Purves, Randy W. Tang, Keqi Guevremont, Roger Smith, Richard D. TI Field asymmetric waveform ion mobility spectrometry studies of proteins: Dipole alignment in ion mobility spectrometry? SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Review ID ESI-FAIMS-MS; GAS-PHASE SEPARATIONS; IONIZATION MASS-SPECTROMETRY; PER-TRILLION LEVELS; ELECTROSPRAY-IONIZATION; CYTOCHROME-C; ATMOSPHERIC-PRESSURE; STRUCTURAL INFORMATION; UBIQUITIN CONFORMERS; TRYPTIC PEPTIDES AB Approaches to separation and characterization of ions based on their mobilities in gases date back to the 1960s. Conventional ion mobility spectrometry (IMS) measures the absolute mobility, and field asymmetric waveform IMS (FAIMS) exploits the difference between mobilities at high and low electric fields. However, in all previous IMS and FAIMS experiments ions experienced an essentially free rotation; thus the separation was based on the orientationally averaged cross-sections Omega(avg) between ions and buffer gas molecules. Virtually all large ions are permanent electric dipoles that will be oriented by a sufficiently strong electric field. Under typical FAIMS conditions this will occur for dipole moments > 400 D, found for many macroions including most proteins above similar to 30 kDa. Mobilities of aligned dipoles depend on directional cross-sections Omega(dir) ( rather than Omega(avg)), which should have a major effect on FAIMS separation parameters. Here we report the FAIMS behavior of electrospray-ionization-generated ions for 10 proteins up to similar to 70 kDa. Those above 29 kDa exhibit a strong increase of mobility at high field, which is consistent with predicted ion dipole alignment. This effect expands the useful FAIMS separation power by an order of magnitude, allowing separation of up to similar to 10(2) distinct protein conformers and potentially revealing information about Omega(dir) and ion dipole moment that is of utility for structural characterization. Possible approaches to extending dipole alignment to smaller ions are discussed. C1 Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. Thermo Electron Corp, Ottawa, ON K1A 0R6, Canada. RP Shvartsburg, AA (reprint author), Pacific NW Natl Lab, Div Biol Sci, POB 999, Richland, WA 99352 USA. EM alexandre.shvartsburg@pnl.gov RI Smith, Richard/J-3664-2012; OI Smith, Richard/0000-0002-2381-2349; Purves, Randy/0000-0002-1274-837X FU NCRR NIH HHS [RR18522] NR 102 TC 33 Z9 34 U1 1 U2 24 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD NOV 2 PY 2006 VL 110 IS 43 BP 21966 EP 21980 DI 10.1021/jp062573p PG 15 WC Chemistry, Physical SC Chemistry GA 098WL UT WOS:000241553500085 PM 17064166 ER PT J AU Ipek, E Mckee, SA de Supinski, BR Caruana, R Schulz, M AF Ipek, Engin Mckee, Sally A. de Supinski, Bronis R. Caruana, Rich Schulz, Martin TI Efficiently exploring architectural design spaces via predictive modeling SO ACM SIGPLAN NOTICES LA English DT Article DE design space exploration; sensitivity studies; artificial neural networks; performance prediction AB Architects use cycle-by-cycle simulation to evaluate design choices and understand tradeoffs and interactions among design parameters. Efficiently exploring exponential-size design spaces with many interacting parameters remains an open problem: the sheer number of experiments renders detailed simulation intractable. We attack this problem via an automated approach that builds accurate, confident predictive design-space models. We simulate sampled points, using the results to teach our models the function describing relationships among design parameters. The models produce highly accurate performance estimates for other points in the space, can be queried to predict performance impacts of architectural changes, and are very fast compared to simulation, enabling efficient discovery of tradeoffs among parameters in different regions. We validate our approach via sensitivity studies on memory hierarchy and CPU design spaces: our models generally predict IPC with only 1-2% error and reduce required simulation by two orders of magnitude. We also show the efficacy of our technique for exploring chip multiprocessor (CMP) design spaces: when trained on a 1% sample drawn from a CMP design space with 250K points and up to 55 x performance swings among different system configurations, our models predict performance with only 4-5% error on average. Our approach combines with techniques to reduce time per simulation, achieving net time savings of three-four orders of magnitude. C1 [Ipek, Engin; Mckee, Sally A.; Caruana, Rich] Cornell Univ, Ithaca, NY 14853 USA. [de Supinski, Bronis R.; Schulz, Martin] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Ipek, E (reprint author), Cornell Univ, Ithaca, NY 14853 USA. EM engin@csl.cornell.edu; sam@csl.cornell.edu; bronis@llnl.gov; schulzm@llnl.gov; caruana@cs.cornell.edu NR 41 TC 20 Z9 20 U1 0 U2 1 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 2 PENN PLAZA, STE 701, NEW YORK, NY 10121-0701 USA SN 0362-1340 EI 1558-1160 J9 ACM SIGPLAN NOTICES JI ACM Sigplan Not. PD NOV PY 2006 VL 41 IS 11 BP 195 EP 206 DI 10.1145/1168918.1168882 PG 12 WC Computer Science, Software Engineering SC Computer Science GA V43ZI UT WOS:000202972600019 ER PT J AU Wilson, DK Collier, SL Ostashev, VE Aldridge, DF Symon, NP Marlin, DH AF Wilson, D. Keith Collier, Sandra L. Ostashev, Vladimir E. Aldridge, David F. Symon, Neill P. Marlin, David H. TI Time-domain modeling of the acoustic impedance of porous surfaces SO ACTA ACUSTICA UNITED WITH ACUSTICA LA English DT Article ID SOUND-PROPAGATION; FINITE-DIFFERENCE; GROUND SURFACES; MEDIA; SIMULATION; REFLECTION; TORTUOSITY; EQUATIONS; BOUNDARY AB A time-domain boundary condition (TDBC) for acoustic reflections from a rigid-frame porous material is derived. The TDBC is the time-domain counterpart of the familiar, linear, frequency-dependent surface impedance for locally reacting surfaces. Although the TDBC is developed from a rather simple, two-parameter phenomenological model, it is shown to apply to a broad range of frequencies and to agree closely with predictions from more sophisticated models that do not have readily derivable time-domain formulas. The TDBC gives the pressure as the sum of two terms involving the particle velocity normal to the surface of the material: one term is directly proportional to the particle velocity at the present time, whereas the other involves a convolution of the particle velocity with a slowly decaying response function. Numerical implementation of the TDBC is discussed and illustrated with example finite-difference, time-domain calculations involving propagation over a porous ground surface. C1 USA, Engineer Res & Dev Ctr, Hanover, NH 03755 USA. USA, Res Lab, Adelphi, MD 20783 USA. Earth Syst Res Labs, Boulder, CO 80305 USA. New Mexico State Univ, Dept Phys, Las Cruces, NM 88003 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. USA, Res Lab, White Sands Missile Range, NM 88002 USA. RP Wilson, DK (reprint author), USA, Engineer Res & Dev Ctr, 72 Lyme Rd, Hanover, NH 03755 USA. RI Wilson, D. Keith/A-4687-2012 OI Wilson, D. Keith/0000-0002-8020-6871 NR 26 TC 15 Z9 15 U1 0 U2 6 PU S HIRZEL VERLAG PI STUTTGART PA POSTFACH 10 10 61, D-70 009 STUTTGART, GERMANY SN 1610-1928 J9 ACTA ACUST UNITED AC JI Acta Acust. United Acust. PD NOV-DEC PY 2006 VL 92 IS 6 BP 965 EP 975 PG 11 WC Acoustics SC Acoustics GA 139EQ UT WOS:000244415500016 ER PT J AU Singh, D Lorenzo-Martin, MD Gutierrez-Mora, F Routbort, JL Case, ED AF Singh, D. Lorenzo-Martin, M. de la Cinta Gutierrez-Mora, F. Routbort, J. L. Case, E. D. TI Self-joining of zirconia/hydroxyapatite composites using plastic deformation process SO ACTA BIOMATERIALIA LA English DT Article DE hydroxyapatite; zirconia; composite; joining; deformation ID CALCIUM-PHOSPHATE CERAMICS; BIOMEDICAL APPLICATIONS; HYDROXYAPATITE; ZIRCONIA; COATINGS; OSTEOBLASTS; SUPERPLASTICITY; BIOCERAMICS; SUBSTITUTES; ALUMINA AB A plastic deformation process was demonstrated to self-join 3 mol.% yttria partially stabilized zirconia (3Y-TZP)/hydroxyapatite (HA) composites. The 3Y-TZP/40 vol.% HA composites were fabricated by conventional ceramic processing by cold pressing premixed 3Y-TZP and HA powders into pellets. Densification (approximate to 90%) of composites was achieved by sintering composite powder compacts at 1450 degrees C for 5 h. Optimum self-joining of 3Y-TZP/40 vol.% HA composites was obtained at 1300 degrees C for a strain rate of 5 x 10(-5)/s. The flow stress during joining was 40 MPa. Microstructural and mechanical characterizations of the joint interface demonstrated that there were no discernible differences between the joint and the composite material away from the interface. (c) 2006 Acta Materialia Inc. All rights reserved. C1 Argonne Natl Lab, Div Energy Technol, Argonne, IL 60439 USA. Univ Sevilla, Dept Fis Mat Condensada, E-41080 Seville, Spain. Michigan State Univ, Dept Chem Engn & Mat Sci, E Lansing, MI 48824 USA. RP Singh, D (reprint author), Argonne Natl Lab, Div Energy Technol, 9700 S Cass Ave, Argonne, IL 60439 USA. EM dsingh@anl.gov RI Gutierrez-Mora, Felipe/H-4625-2015 OI Gutierrez-Mora, Felipe/0000-0003-3632-7163 NR 36 TC 12 Z9 12 U1 0 U2 5 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1742-7061 J9 ACTA BIOMATER JI Acta Biomater. PD NOV PY 2006 VL 2 IS 6 BP 669 EP 675 DI 10.1016/j.actbio.2006.06.004 PG 7 WC Engineering, Biomedical; Materials Science, Biomaterials SC Engineering; Materials Science GA 103SW UT WOS:000241908000008 PM 16935578 ER PT J AU Kurella, A Dahotre, NB AF Kurella, Anil Dahotre, Narendra B. TI Laser induced hierarchical calcium phosphate structures SO ACTA BIOMATERIALIA LA English DT Article DE titanium alloy; calcium phosphate; multi-scale; self-assembly AB The surface properties of biomedical implant materials control the dynamic interactions at tissue-implant interfaces. At such interfaces, if the nanoscale features influence protein interactions, those of the microscale and mesoscale aid cell orientation and provide tissue integration.. respectively. It seems imperative that the synthetic materials expected to replace natural hard tissues are engineered to mimic the complexity of their hierarchical assembly. However, the current surface engineering approaches are single scaled. It is demonstrated that using laser surface engineering a controlled multiscale surface can be synthesized for bioactive functions. A systematic organization of bioactive calcium phosphate coating with multiphase composition on Ti-alloy substrate ranging from nano- to mesoscale has been achieved by effectively controlling the thermo physical interactions during laser processing. The morphology of the coating consisted of a periodic arrangement of Ti-rich and Ca-P-deficient star-like phases uniformly distributed inside a Ca-P-rich self-assembled cellular structure with the presence of CaO, alpha-tricalcium phosphate, CaTiO3, TiO2 and Ti phase in the coating matrix. The cellular structures ranged in diameter from 2.5 mu m to 10 mu m as an assembly of cuboid shaped particles of dimensions of similar to 200 nm x 1 mu m. The multiscale texture also included nanoscale particles that are the precursors for many of these phases. The rapid cooling associated with the laser processing resulted in formation, organization and controlling dimensions of the Ca-P-rich glassy phase into a micron scale cellular morphology and submicron scale clusters of CaTiO3 phase inside the cellular structures. The self-assembly of the coating into multiscale structure was influenced by chemical and physical interactions among the multiphases that evolved during laser processing. (c) 2006 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. RP Dahotre, NB (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM ndahotre@utk.edu NR 13 TC 33 Z9 33 U1 3 U2 12 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1742-7061 J9 ACTA BIOMATER JI Acta Biomater. PD NOV PY 2006 VL 2 IS 6 BP 677 EP 683 DI 10.1016/j.actbio.2006.05.001 PG 7 WC Engineering, Biomedical; Materials Science, Biomaterials SC Engineering; Materials Science GA 103SW UT WOS:000241908000009 PM 16844439 ER PT J AU Robinson, H Soares, AS Becker, M Sweet, R Heroux, A AF Robinson, Howard Soares, Alexei S. Becker, Michael Sweet, Robert Heroux, Annie TI Mail-in crystallography program at Brookhaven National Laboratory's National Synchrotron Light Source SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article AB For the last six years, the Macromolecular Crystallography Research Resource (PXRR) has been providing mail-in access to several beamlines at the National Synchrotron Light Source (NSLS) for X-ray diffraction. This program is available at no charge for academic users from the US and around the world. This service has fostered a new paradigm for collaborations between the local staff scientists and synchrotron users. It also accelerates the innovation of new productivity tools, which benefit users who come to NSLS beamlines as well as those who use the mail-in program. C1 Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Heroux, A (reprint author), Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. EM heroux@bnl.gov RI Soares, Alexei/F-4800-2014 OI Soares, Alexei/0000-0002-6565-8503 NR 10 TC 10 Z9 11 U1 0 U2 0 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0907-4449 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Biol. Crystallogr. PD NOV PY 2006 VL 62 BP 1336 EP 1339 DI 10.1107/S0907444906026321 PN 11 PG 4 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 096ML UT WOS:000241381100007 PM 17057336 ER PT J AU Skinner, JM Cowan, M Buono, R Nolan, W Bosshard, H Robinson, HH Heroux, A Soares, AS Schneider, DK Sweet, RM AF Skinner, John M. Cowan, Matt Buono, Rick Nolan, William Bosshard, Heinz Robinson, Howard H. Heroux, Annie Soares, Alexei S. Schneider, Dieter K. Sweet, Robert M. TI Integrated software for macromolecular crystallography synchrotron beamlines II: revision, robots and a database SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article ID INSTRUMENT-CONTROL; PROGRAM; SYSTEM AB This manuscript chronicles the evolution of software used originally to control a diffractometer at a macromolecular crystallography beamline. The system has been augmented and rewritten. A modular and carefully organized suite of programs now handles the whole experimental environment from a single vantage point. It provides automatic logging of the experiment and communication with the user, all the way from an initial proposal to perform the work to the end of data collection. This has included construction of a relational database to organize all details of the experiment and incorporation of a robotic specimen changer to provide automation for high-throughput applications. C1 Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Sweet, RM (reprint author), Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. EM sweet@bnl.gov RI Soares, Alexei/F-4800-2014 OI Soares, Alexei/0000-0002-6565-8503 NR 13 TC 18 Z9 18 U1 0 U2 0 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0907-4449 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Biol. Crystallogr. PD NOV PY 2006 VL 62 BP 1340 EP 1347 DI 10.1107/S0907444906030162 PN 11 PG 8 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 096ML UT WOS:000241381100008 PM 17057337 ER PT J AU Jedrzejczak, R Dauter, M Dauter, Z Olszewski, M Dlugolecka, A Kur, J AF Jedrzejczak, Robert Dauter, Miroslawa Dauter, Zbigniew Olszewski, Marcin Dlugolecka, Anna Kur, Jozef TI Structure of the single-stranded DNA-binding protein SSB from Thermus aquaticus SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article ID ESCHERICHIA-COLI SSB; X-RAY-DIFFRACTION; CRYSTAL-STRUCTURE; DEINOCOCCUS-RADIODURANS; REFINEMENT; DOMAIN; THERMOPHILUS; VARIABILITY; RESOLUTION; SSDNA AB The crystal structure of the single-stranded DNA-binding protein from Thermus aquaticus has been solved and refined at 1.85 angstrom resolution. Two monomers, each encompassing two oligonucleotide/oligosaccharide-binding (OB) domains and a number of flexible beta-hairpin loops, form an oligomer of approximate D-2 symmetry typical of bacterial SSBs. Comparison with other SSB structures confirms considerable variability in the mode of oligomerization and aggregation of SSB oligomers. C1 NCI, Synchrotron Radiat Res Sect, MCL, Argonne Natl Lab, Argonne, IL 60439 USA. Argonne Natl Lab, Basic Res Program, SAIC Frederick, Argonne, IL 60439 USA. Gdansk Univ Technol, Fac Chem, Dept Microbiol, PL-80952 Gdansk, Poland. RP Dauter, Z (reprint author), NCI, Synchrotron Radiat Res Sect, MCL, Argonne Natl Lab, Argonne, IL 60439 USA. EM dauter@anl.gov; kur@chem.pg.gda.pl FU NCI NIH HHS [N01-CO-12400] NR 19 TC 14 Z9 15 U1 1 U2 2 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0907-4449 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Biol. Crystallogr. PD NOV PY 2006 VL 62 BP 1407 EP 1412 DI 10.1107/S0907444906036031 PN 11 PG 6 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 096ML UT WOS:000241381100017 PM 17057346 ER PT J AU Wang, J Storey, J Domingo, N Huff, S Thomas, J West, B AF Wang, Jian Storey, John Domingo, Norberto Huff, Shean Thomas, John West, Brian TI Studies of diesel engine particle emissions during transient operations using an engine exhaust particle sizer SO AEROSOL SCIENCE AND TECHNOLOGY LA English DT Article ID AIR-POLLUTION; NATURAL-GAS; SPECTROMETER; MORTALITY; BUSES AB Diesel engine particle emissions during transient operations, including emissions during FTP transient cycles and during active regenerations of a NOx adsorber, were studied using a fast Engine Exhaust Particle Sizer (EEPS). For both fuels tested, a No. 2 certification diesel and a low sulfur diesel (BP-15), high particle concentrations and emission rates were mainly associated with heavy engine acceleration, high speed, and high torque during transient cycles. Averaged over the FTP transient cycle, the particle number concentration during tests with the certification fuel was 1.2e8/cm(3), about four times the particle number concentration observed during tests using the BP-15 fuel. The effect of each engine parameter on particle emissions was studied. During tests using BP-15, the particle number emission rate was mainly controlled by the engine speed and torque, whereas for Certification fuel, the engine acceleration also had a strong effect on number emission rates. The effects of active regenerations of a diesel NOx adsorber on particle emissions were also characterized for two catalyst regeneration strategies: Delayed Extended Main (DEM) and Post 80 injection (Post80). Particle volume concentrations observed during DEM regenerations were much higher than those during Post80 regenerations, and the minimum air to fuel ratio achieved during the regenerations had little effect on particle emission for both strategies. This study provides valuable information for developing strategies that minimize the particle formation during active regenerations of NOx adsorbers. C1 Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA. Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Wang, J (reprint author), Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA. EM jian@bnl.gov RI Wang, Jian/G-9344-2011 NR 26 TC 29 Z9 29 U1 4 U2 18 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0278-6826 J9 AEROSOL SCI TECH JI Aerosol Sci. Technol. PD NOV PY 2006 VL 40 IS 11 BP 1002 EP 1015 DI 10.1080/02786820600919408 PG 14 WC Engineering, Chemical; Engineering, Mechanical; Environmental Sciences; Meteorology & Atmospheric Sciences SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 088UE UT WOS:000240835800006 ER PT J AU Kriete, A Sokhansanji, BA Coppock, DL West, GB AF Kriete, Andres Sokhansanji, Bahrad A. Coppock, Donald L. West, Geoffrey B. TI Systems approaches to the networks of aging SO AGEING RESEARCH REVIEWS LA English DT Review DE systems biology; aging models; scaling laws; biological networks; physiome ID BASE EXCISION-REPAIR; OXIDATIVE STRESS; MITOCHONDRIAL-DNA; METABOLIC-RATE; BODY-SIZE; PHYSIOME PROJECT; NUCLEAR EXTRACTS; BRONCHIAL TREE; LIFE-SPAN; AGE AB The aging of an organism is the result of complex changes in structure and function of molecules, cells, tissues, and whole body systems. To increase our understanding of how aging works, we have to analyze and integrate quantitative evidence from multiple levels of biological organization. Here, we define a broader conceptual framework for a quantitative, computational systems biology approach to aging. Initially, we consider fractal supply networks that give rise to scaling laws relating body mass, metabolism and lifespan. This approach provides a top-down view of constrained cellular processes. Concomitantly, multi-omics data generation build such a framework from the bottom-up, using modeling strategies to identify key pathways and their physiological capacity. Multiscale spatio-temporal representations finally connect molecular processes with structural organization. As aging manifests on a systems level, it emerges as a highly networked process regulated through feedback loops between levels of biological organization. (c) 2006 Elsevier Ireland Ltd. All rights reserved. C1 Drexel Univ Sci & Hlth Syst, Sch Biomed Engn, Philadelphia, PA 19104 USA. Coriell Inst Med Res, Camden, NJ USA. Los Alamos Natl Lab, Los Alamos, NM USA. Santa Fe Inst, Santa Fe, NM 87501 USA. RP Kriete, A (reprint author), Drexel Univ Sci & Hlth Syst, Sch Biomed Engn, Chestnut St 3401, Philadelphia, PA 19104 USA. EM andres.kriete@drexel.edu NR 94 TC 19 Z9 23 U1 0 U2 9 PU ELSEVIER IRELAND LTD PI CLARE PA ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELAND SN 1568-1637 EI 1872-9649 J9 AGEING RES REV JI Ageing Res. Rev. PD NOV PY 2006 VL 5 IS 4 BP 434 EP 448 DI 10.1016/j.arr.2006.06.002 PG 15 WC Cell Biology; Geriatrics & Gerontology SC Cell Biology; Geriatrics & Gerontology GA 102ZN UT WOS:000241852700004 PM 16904954 ER PT J AU Simmers, GE Sodano, HA Park, G Inman, DJ AF Simmers, Garnett E., Jr. Sodano, Henry A. Park, Gyuhae Inman, Daniel J. TI Detection of corrosion using piezoelectric impedance-based structural health monitoring SO AIAA JOURNAL LA English DT Article C1 Eastman Chem Co, Jonesborough, TN 37659 USA. Michigan Technol Univ, Dept Mech Engn Engn Mech, Houghton, MI 49931 USA. Los Alamos Natl Lab, Engn Inst, Los Alamos, NM 87545 USA. Virginia Polytech Inst & State Univ, Ctr Intelligent Mat Syst & Struct, Blacksburg, VA 24061 USA. RP Simmers, GE (reprint author), Eastman Chem Co, 1011 Maple Leaf Dr, Jonesborough, TN 37659 USA. NR 6 TC 6 Z9 6 U1 0 U2 1 PU AMER INST AERONAUT ASTRONAUT PI RESTON PA 1801 ALEXANDER BELL DRIVE, STE 500, RESTON, VA 22091-4344 USA SN 0001-1452 J9 AIAA J JI AIAA J. PD NOV PY 2006 VL 44 IS 11 BP 2800 EP 2803 DI 10.2514/1.24273 PG 4 WC Engineering, Aerospace SC Engineering GA 102ZA UT WOS:000241851100045 ER PT J AU Kaul, DK Liu, XD Zhang, XQ Mankelow, T Parsons, S Spring, F An, XL Mohandas, N Anstee, D Chasis, JA AF Kaul, Dhananjay K. Liu, Xiao-Du Zhang, Xiaoqin Mankelow, Tosti Parsons, Stephen Spring, Frances An, Xiuli Mohandas, Narla Anstee, David Chasis, Joel Anne TI Peptides based on alpha V-binding domains of erythrocyte ICAM-4 inhibit sickle red cell-endothelial interactions and vaso-occlusion in the microcirculation SO AMERICAN JOURNAL OF PHYSIOLOGY-CELL PHYSIOLOGY LA English DT Article DE sickle cell disease; intercellular adhesion molecule-4; alpha V beta 3-integrin; peripheral resistance unit; endothelium; erythrocytes ID PLATELET-ACTIVATING-FACTOR; VASCULAR ENDOTHELIUM; ADHESION; THROMBOSPONDIN; DISEASE; ANEMIA; RETICULOCYTES; INFLAMMATION; EPINEPHRINE; EXPRESSION AB Growing evidence shows that adhesion molecules on sickle erythrocytes interact with vascular endothelium leading to vaso-occlusion. Erythrocyte intercellular adhesion molecule-4 (ICAM-4) binds alpha V-integrins, including alpha V beta 3 on endothelial cells. To explore the contribution of ICAM-4 to vascular pathology of sickle cell disease, we tested the effects of synthetic peptides, V(16) PFWVRMS (FWV) and T(91) RWATSRI (ATSR), based on alpha V-binding domains of ICAM-4 and capable of inhibiting ICAM-4 and alpha V-binding in vitro. For these studies, we utilized an established ex vivo microvascular model system that enables intravital microscopy and quantitation of adhesion under shear flow. In this model, the use of platelet-activating factor, which causes endothelial oxidant generation and endothelial activation, mimicked physiological states known to occur in sickle cell disease. Infusion of sickle erythrocytes into platelet-activating factor-treated ex vivo rat mesocecum vasculature produced pronounced adhesion of erythrocytes; small-diameter venules were sites of maximal adhesion and frequent blockage. Both FWV and ATSR peptides markedly decreased adhesion, and no vessel blockage was observed with either of the peptides, resulting in improved hemodynamics. ATSR also inhibited adhesion in unactivated microvasculature. Although infused fluoresceinated ATSR colocalized with vascular endothelium, pretreatment with function-blocking antibody to alpha V beta 3-integrin markedly inhibited this interaction. Our data strengthen the thesis that ICAM-4 on sickle erythrocytes binds endothelium via alpha V beta 3 and that this interaction contributes to vaso-occlusion. Thus peptides or small molecule mimetics of ICAM-4 may have therapeutic potential. C1 Yeshiva Univ Albert Einstein Coll Med, Dept Med, Bronx, NY 10461 USA. Natl Blood Serv, Bristol Inst Transfus Sci, Bristol, Avon, England. New York Blood Ctr, New York, NY 10021 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Life Sci, Berkeley, CA 94720 USA. RP Kaul, DK (reprint author), Yeshiva Univ Albert Einstein Coll Med, Dept Med, 1300 Morris Pk Ave,Rm U-917, Bronx, NY 10461 USA. EM kaul@aecom.yu.edu FU NHLBI NIH HHS [HL-070047, HL-31579]; NIDDK NIH HHS [DK-56267]; PHS HHS [U5438655] NR 35 TC 31 Z9 32 U1 1 U2 2 PU AMER PHYSIOLOGICAL SOC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814 USA SN 0363-6143 J9 AM J PHYSIOL-CELL PH JI Am. J. Physiol.-Cell Physiol. PD NOV PY 2006 VL 291 IS 5 BP C922 EP C930 DI 10.1152/ajpcell.00639.2005 PG 9 WC Cell Biology; Physiology SC Cell Biology; Physiology GA 093TP UT WOS:000241193100012 PM 16738001 ER PT J AU Rivera, A De Franceschi, L Peters, LL Gascard, P Mohandas, N Brugnara, C AF Rivera, Alicia De Franceschi, Lucia Peters, Luanne L. Gascard, Philippe Mohandas, Narla Brugnara, Carlo TI Effect of complete protein 4.1R deficiency on ion transport properties of murine erythrocytes SO AMERICAN JOURNAL OF PHYSIOLOGY-CELL PHYSIOLOGY LA English DT Article DE spherocytosis; cell Na; Na/H exchange ID RED-BLOOD-CELL; CAMP-MEDIATED INHIBITION; NA+/H+ EXCHANGER NHE1; HEREDITARY SPHEROCYTOSIS; HOMOLOGOUS PROTEIN; MEMBRANE SKELETON; VOLUME REGULATION; GARDOS CHANNEL; PH REGULATION; KINASE-C AB Moderate hemolytic anemia, abnormal erythrocyte morphology (spherocytosis), and decreased membrane stability are observed in mice with complete deficiency of all erythroid protein 4.1 protein isoforms (4.1(-/-); Shi TS et al. J Clin Invest 103: 331, 1999). We have examined the effects of erythroid protein 4.1 (4.1R) deficiency on erythrocyte cation transport and volume regulation. 4.1(-/-)mice exhibited erythrocyte dehydration that was associated with reduced cellular K and increased Na content. Increased Na permeability was observed in these mice, mostly mediated by Na/H exchange with normal Na-K pump and Na-K-2Cl cotransport activities. The Na/H exchange of 4.1(-/-)erythrocytes was markedly activated by exposure to hypertonic conditions (18.2 +/- 3.2 in 4.1(-/-)vs. 9.8 +/- 1.3 mmol/10(13) cell x h in control mice), with an abnormal dependence on osmolality (EC(50) = 417 +/- 42 in 4.1(-/-)vs. 460 +/- 35 mosmol/kgH(2)O in control mice), suggestive of an upregulated functional state. While the affinity for internal protons was not altered (K(0.5) = 489.7 +/- 0.7 vs. 537.0 +/- 0.56 nM in control mice), the V(max) of the H-induced Na/H exchange activity was markedly elevated in 4.1(-/-)erythrocytes (V(max) 91.47 +/- 7.2 compared with 46.52 +/- 5.4 mmol/10(13) cell x h in control mice). Na/H exchange activation by okadaic acid was absent in 4.1(-/-)erythrocytes. Altogether, these results suggest that erythroid protein 4.1 plays a major role in volume regulation and physiologically downregulates Na/H exchange in mouse erythrocytes. Upregulation of the Na/H exchange is an important contributor to the elevated cell Na content of 4.1(-/-)erythrocytes. C1 Childrens Hosp, Dept Lab Med, Boston, MA 02115 USA. Harvard Univ, Sch Med, Dept Pathol, Boston, MA 02115 USA. Univ Verona, Sect Internal Med, Dept Clin & Expt Med, I-37100 Verona, Italy. Jackson Lab, Bar Harbor, ME 04609 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. New York Blood Ctr, New York, NY 10021 USA. RP Rivera, A (reprint author), Childrens Hosp, Dept Lab Med, 300 Longwood Ave,BA 760, Boston, MA 02115 USA. EM alicia.rivera@childrens.harvard.edu RI Brugnara, Carlo/A-8041-2010 OI Brugnara, Carlo/0000-0001-8192-8713 FU NHLBI NIH HHS [HL-067699, HL-31579, HL-64885, R01 HL064885]; NIDDK NIH HHS [DK-56355, DK-069388, DK-32094, DK-50422] NR 38 TC 14 Z9 14 U1 0 U2 1 PU AMER PHYSIOLOGICAL SOC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814 USA SN 0363-6143 J9 AM J PHYSIOL-CELL PH JI Am. J. Physiol.-Cell Physiol. PD NOV PY 2006 VL 291 IS 5 BP C880 EP C886 DI 10.1152/ajpcell.00436.2005 PG 7 WC Cell Biology; Physiology SC Cell Biology; Physiology GA 093TP UT WOS:000241193100008 PM 16774987 ER PT J AU Brown, HE Diuk-Wasser, MA Caskey, S Fish, D AF Brown, Heidi E. Diuk-Wasser, Maria A. Caskey, Susan Fish, Durland TI A comparison of three satellite sensors for predicting mosquito species occurrence SO AMERICAN JOURNAL OF TROPICAL MEDICINE AND HYGIENE LA English DT Meeting Abstract C1 Yale Univ, New Haven, CT USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. NR 0 TC 0 Z9 0 U1 1 U2 1 PU AMER SOC TROP MED & HYGIENE PI MCLEAN PA 8000 WESTPARK DR, STE 130, MCLEAN, VA 22101 USA SN 0002-9637 J9 AM J TROP MED HYG JI Am. J. Trop. Med. Hyg. PD NOV PY 2006 VL 75 IS 5 SU S MA 937 BP 269 EP 269 PG 1 WC Public, Environmental & Occupational Health; Tropical Medicine SC Public, Environmental & Occupational Health; Tropical Medicine GA 109XW UT WOS:000242343901372 ER PT J AU Tschauner, O Luo, SN Asimow, PD Ahrens, TJ AF Tschauner, Oliver Luo, Sheng-Nian Asimow, Paul D. Ahrens, Thomas J. TI Recovery of stishovite-structure at ambient conditions out of shock-generated amorphous silica SO AMERICAN MINERALOGIST LA English DT Article DE meteorite; shock; phase transition; amorphous to solid; XRD data; stishovite; high pressure ID PRESSURE-INDUCED AMORPHIZATION; METEORITE SHERGOTTY; QUARTZ; SIO2; METAMORPHISM; POLYMORPH; PHASE; WAVE; TEMPERATURES; TRANSITION AB We show that bulk amorphous silica recovered from shock-wave experiments on quartz to 57 GPa is not a true glass but rather keeps a large degree of long-range structural information that can be recovered by static cold recompression to 13 GPa. At this pressure, shock-retrieved silica assumes the structure of crystalline stishovite. A minor amount of material recovers the structure of a recently discovered new silica polymorph. C1 Univ Nevada, High Pressure Sci & Engn Ctr, Las Vegas, NV 89154 USA. Univ Nevada, Dept Phys, Las Vegas, NV 89154 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. CALTECH, Div Geol & Planetary Sci, Pasadena, CA 91125 USA. CALTECH, Seismol Lab, Lindhurst Lab Expt Geophys, Pasadena, CA 91125 USA. RP Tschauner, O (reprint author), Univ Nevada, High Pressure Sci & Engn Ctr, Las Vegas, NV 89154 USA. EM olivert@physics.unlv.edu RI Asimow, Paul/E-7451-2010; Luo, Sheng-Nian /D-2257-2010 OI Asimow, Paul/0000-0001-6025-8925; Luo, Sheng-Nian /0000-0002-7538-0541 NR 38 TC 10 Z9 10 U1 2 U2 18 PU MINERALOGICAL SOC AMER PI CHANTILLY PA 3635 CONCORDE PKWY STE 500, CHANTILLY, VA 20151-1125 USA SN 0003-004X EI 1945-3027 J9 AM MINERAL JI Am. Miner. PD NOV-DEC PY 2006 VL 91 IS 11-12 BP 1857 EP 1862 DI 10.2138/am.2006.2015 PG 6 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA 109OO UT WOS:000242318100015 ER PT J AU Johnston, RG AF Johnston, Roger G. TI Tamper-Indicating seals SO AMERICAN SCIENTIST LA English DT Article AB From the earliest civilizations to the present, seals have provided evidence of unauthorized access. C1 Los Alamos Natl Lab, Vulnerabil Assessment Team, Los Alamos, NM 87545 USA. RP Johnston, RG (reprint author), Los Alamos Natl Lab, Vulnerabil Assessment Team, MS J565, Los Alamos, NM 87545 USA. NR 13 TC 4 Z9 4 U1 1 U2 5 PU SIGMA XI-SCI RES SOC PI RES TRIANGLE PK PA PO BOX 13975, RES TRIANGLE PK, NC 27709 USA SN 0003-0996 J9 AM SCI JI Am. Scientist PD NOV-DEC PY 2006 VL 94 IS 6 BP 515 EP 523 DI 10.1511/2006.62.1008 PG 9 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 096HZ UT WOS:000241369500025 ER PT J AU Enqvist, S Sletten, K Stevens, F Westermark, P AF Enqvist, S. Sletten, K. Stevens, F. Westermark, P. TI Influence of the light chain primary sequence for amyloid deposition in AL amyloidosis SO AMYLOID-JOURNAL OF PROTEIN FOLDING DISORDERS LA English DT Meeting Abstract CT 11th International Symposium on Amyloidosis CY NOV 05-09, 2006 CL Woods Hole, MA C1 Uppsala Univ, Dept Genet & Pathol, Uppsala, Sweden. Univ Oslo, Ctr Biotechnol, Oslo, Norway. Argonne Natl Lab, Ctr Mechanist Biol & Biotechnol, Argonne, IL 60439 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU PARTHENON PUBLISHING GROUP PI LANCASTER PA RICHMOND HOUSE, WHITE CROSS, SOUTH ROAD, LANCASTER LA1 4XQ, ENGLAND SN 1350-6129 J9 AMYLOID JI Amyloid-J. Protein Fold. Disord. PD NOV PY 2006 VL 13 SU 1 BP 27 EP 27 PG 1 WC Biochemistry & Molecular Biology; Medicine, General & Internal; Medicine, Research & Experimental SC Biochemistry & Molecular Biology; General & Internal Medicine; Research & Experimental Medicine GA 110WL UT WOS:000242411900061 ER PT J AU Denk, E Hillegonds, D Vogel, J Synal, A Geppert, C Wendt, K Fattinger, K Hennessy, C Berglund, M Hurrell, RF Walczyk, T AF Denk, E. Hillegonds, D. Vogel, J. Synal, A. Geppert, C. Wendt, K. Fattinger, K. Hennessy, C. Berglund, M. Hurrell, R. F. Walczyk, T. TI Labeling the human skeleton with Ca-41 to assess changes in bone calcium metabolism SO ANALYTICAL AND BIOANALYTICAL CHEMISTRY LA English DT Article DE Ca-41; AMS; RIMS; osteoporosis; kinetic analysis; compartmental modeling ID ACCELERATOR MASS-SPECTROMETRY; ISOTOPIC SELECTIVITY; BIOCHEMICAL MARKERS; CLINICAL-USE; OSTEOPOROSIS; KINETICS; RESORPTION; RETENTION; TURNOVER; FUTURE AB Bone research is limited by the methods available for detecting changes in bone metabolism. While dual X-ray absorptiometry is rather insensitive, biochemical markers are subject to significant intra-individual variation. In the study presented here, we evaluated the isotopic labeling of bone using Ca-41, a long-lived radiotracer, as an alternative approach. After successful labeling of the skeleton, changes in the systematics of urinary Ca-41 excretion are expected to directly reflect changes in bone Ca metabolism. A minute amount of Ca-41 (100 nCi) was administered orally to 22 postmenopausal women. Kinetics of tracer excretion were assessed by monitoring changes in urinary Ca-41/Ca-40 isotope ratios up to 700 days post-dosing using accelerator mass spectrometry and resonance ionization mass spectrometry. Isotopic labeling of the skeleton was evaluated by two different approaches: (i) urinary Ca-41 data were fitted to an established function consisting of an exponential term and a power law term for each individual; (ii)Ca-41 data were analyzed by population pharmacokinetic (NONMEM) analysis to identify a compartmental model that describes urinary Ca-41 tracer kinetics. A linear three-compartment model with a central compartment and two sequential peripheral compartments was found to best fit the Ca-41 data. Fits based on the use of the combined exponential/power law function describing urinary tracer excretion showed substantially higher deviations between predicted and measured values than fits based on the compartmental modeling approach. By establishing the urinary Ca-41 excretion pattern using data points up to day 500 and extrapolating these curves up to day 700, it was found that the calculated Ca-41/Ca-40 isotope ratios in urine were significantly lower than the observed Ca-41/Ca-40 isotope ratios for both techniques. Compartmental analysis can overcome this limitation. By identifying relative changes in transfer rates between compartments in response to an intervention, inaccuracies in the underlying model cancel out. Changes in tracer distribution between compartments were modeled based on identified kinetic parameters. While changes in bone formation and resorption can, in principle, be assessed by monitoring urinary Ca-41 excretion over the first few weeks post-dosing, assessment of an intervention effect is more reliable similar to 150 days post-dosing when excreted tracer originates mainly from bone. C1 ETH, Inst Food Sci & Nutr, Human Nutr Lab, CH-8092 Zurich, Switzerland. Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94551 USA. ETH, Paul Scherrer Inst, Phys Particules Lab, CH-8092 Zurich, Switzerland. Univ Mainz, Inst Phys, D-55099 Mainz, Germany. Univ Hosp Bern, Inselspital, Dept Gen Internal Med, CH-3010 Bern, Switzerland. Commiss European Communities, Joint Res Ctr, Inst Reference Mat & Measurements, B-2440 Geel, Belgium. RP Walczyk, T (reprint author), ETH, Inst Food Sci & Nutr, Human Nutr Lab, Schmelzbergstr 7,LFV D19-3, CH-8092 Zurich, Switzerland. EM thomas.walczyk@ilw.agrl.ethz.ch RI Fattinger, Karin/D-4992-2012; Wendt, Klaus/D-7306-2011 OI Wendt, Klaus/0000-0002-9033-9336 NR 39 TC 27 Z9 28 U1 0 U2 5 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1618-2642 J9 ANAL BIOANAL CHEM JI Anal. Bioanal. Chem. PD NOV PY 2006 VL 386 IS 6 BP 1587 EP 1602 DI 10.1007/s00216-006-0795-5 PG 16 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 107AV UT WOS:000242144000002 PM 17033771 ER PT J AU Isailovic, D Sultana, I Phillips, GJ Yeung, ES AF Isailovic, Dragan Sultana, Ishrat Phillips, Gregory J. Yeung, Edward S. TI Formation of fluorescent proteins by the attachment of phycoerythrobilin to R-phycoerythrin alpha and beta apo-subunits SO ANALYTICAL BIOCHEMISTRY LA English DT Article DE fluorescence; protein expression; bacteria ID BILIVERDIN-IX-ALPHA; ESCHERICHIA-COLI; INCLUSION-BODIES; INVITRO ATTACHMENT; RECOMBINANT BACTERIA; C-PHYCOCYANIN; BIOSYNTHESIS; PHYCOBILINS; APOPHYCOCYANIN; BILINS AB Formation of fluorescent proteins was explored after incubation of recombinant apo-subunits of phycobiliprotein R-phycoerythrin with phycoerythrobilin chromophore. Alpha and beta apo-subunit genes of R-phycoerythrin from red algae Polisiphonia boldii were cloned in plasmid pET-21d(+). Hexahistidine-tagged alpha and beta apo-subunits were expressed in Escherichia coli. Although expressed apo-subunits formed inclusion bodies, fluorescent holo-subunits were constituted after incubation of E. coli cells with phycoerythrobilin. Holo-subunits contained both phycoerythrobilin and urobilin chromophores. Fluorescence and differential interference contrast microscopy showed polar location of holo-subunit inclusion bodies in bacterial cells. Cells containing fluorescent holo-subunits were several times brighter than control cells as found by fluorescence microscopy and flow cytometry. The addition of phycoerythrobilin to cells did not show cytotoxic effects, in contrast to expression of proteins in inclusion bodies. In an attempt to improve solubility, R-phycoerythrin apo-subunits were fused to maltose-binding protein and incubated with phycoerythrobilin both in vitro and in vivo. Highly fluorescent soluble fusion proteins containing phycoerythrobilin as the sole chromophore were formed. Fusion proteins were localized by fluorescence microscopy either throughout E. coli cells or at cell poles. Flow cytometry showed that cells containing fluorescent fusion proteins were up to 10 times brighter than control cells. Results indicate that fluorescent proteins formed by attachment of phycoerythrobilin to expressed apo-subunits of phycobiliproteins can be used as fluorescent probes for analysis of cells by microscopy and flow cytometry. A unique property of these fluorescent reporters is their utility in both properly folded (soluble) subunits and subunits aggregated in inclusion bodies. (c) 2006 Elsevier Inc. All rights reserved. C1 Iowa State Univ, US Dept Energy, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Chem, Ames, IA 50011 USA. Iowa State Univ, Dept Vet Microbiol & Prevent Med, Ames, IA 50011 USA. RP Yeung, ES (reprint author), Iowa State Univ, US Dept Energy, Ames Lab, Ames, IA 50011 USA. EM yeung@ameslab.gov FU NCI NIH HHS [R33 CA095942-04] NR 34 TC 17 Z9 18 U1 4 U2 15 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0003-2697 J9 ANAL BIOCHEM JI Anal. Biochem. PD NOV 1 PY 2006 VL 358 IS 1 BP 38 EP 50 DI 10.1016/j.ab.2006.08.011 PG 13 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 097DW UT WOS:000241428000006 PM 16979575 ER PT J AU Yu, XH Liu, CJ AF Yu, Xiao-Hong Liu, Chang-Jun TI Development of an analytical method for genome-wide functional identification of plant acyl-coenzyme A-dependent acyltransferases SO ANALYTICAL BIOCHEMISTRY LA English DT Editorial Material ID FLAVONOID-O-GLYCOSIDES; STEP C1 Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Liu, CJ (reprint author), Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. EM cliu@bnl.gov NR 13 TC 18 Z9 18 U1 1 U2 5 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0003-2697 J9 ANAL BIOCHEM JI Anal. Biochem. PD NOV 1 PY 2006 VL 358 IS 1 BP 146 EP 148 DI 10.1016/j.ab.2006.08.012 PG 3 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 097DW UT WOS:000241428000019 PM 16989767 ER PT J AU Jaitly, N Monroe, ME Petyuk, VA Clauss, TRW Adkins, JN Smith, RD AF Jaitly, Navdeep Monroe, Matthew E. Petyuk, Vladislav A. Clauss, Therese R. W. Adkins, Joshua N. Smith, Richard D. TI Robust algorithm for alignment of liquid chromatography-mass spectrometry analyses in an accurate mass and time tag data analysis pipeline SO ANALYTICAL CHEMISTRY LA English DT Article ID HIGH-THROUGHPUT PROTEOMICS; PROTEIN IDENTIFICATION; SPECTRAL DATA; RETENTION; PEPTIDES; SEARCH; ERRORS; MS/MS; MS AB Liquid chromatography coupled to mass spectrometry (LC-MS) and tandem mass spectrometry (LC-MS/MS) has become a standard technique for analyzing complex peptide mixtures to determine composition and relative abundance. Several high-throughput proteomics techniques attempt to combine complementary results from multiple LC-MS and LC-MS/MS analyses to provide more comprehensive and accurate results. To effectively collate and use results from these techniques, variations in mass and elution time measurements between related analyses need to be corrected using algorithms designed to align the various types of data: LC-MS/MS versus LCMS/MS, LC-MS versus LC-MS/MS, and LC-MS versus LC-MS. Described herein are new algorithms referred to collectively as liquid chromatography-based mass spectrometric warping and alignment of retention times of peptides (LCMSWARP), which use a dynamic elution time warping approach similar to traditional algorithms that correct for variations in LC elution times using piecewise linear functions. LCMSWARP is compared to the equivalent approach based upon linear transformation of elution times. LCMSWARP additionally corrects for temporal drift in mass measurement accuracies. We also describe the alignment of LC-MS results and demonstrate their application to the alignment of analyses from different chromatographic systems, showing the suitability of the present approach for more complex transformations. C1 Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Smith, RD (reprint author), Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. EM rds@pnl.gov RI Smith, Richard/J-3664-2012; Adkins, Joshua/B-9881-2013; OI Smith, Richard/0000-0002-2381-2349; Adkins, Joshua/0000-0003-0399-0700; Petyuk, Vladislav/0000-0003-4076-151X FU NCRR NIH HHS [RR18522]; NIAID NIH HHS [AI4894-01]; NIDA NIH HHS [1P30DA015625-01] NR 30 TC 109 Z9 112 U1 1 U2 6 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 J9 ANAL CHEM JI Anal. Chem. PD NOV 1 PY 2006 VL 78 IS 21 BP 7397 EP 7409 DI 10.1021/ac052197p PG 13 WC Chemistry, Analytical SC Chemistry GA 100LG UT WOS:000241670000020 PM 17073405 ER PT J AU Liu, GD Wang, J Wu, H Lin, YH AF Liu, Guodong Wang, Jun Wu, Hong Lin, Yuehe TI Versatile apoferritin nanoparticle labels for assay of protein SO ANALYTICAL CHEMISTRY LA English DT Article ID HORSE SPLEEN; FERRITIN; DNA; CAGE; NANOMATERIALS; TRANSDUCTION; NANOTUBES; PROBES; ROUTE AB A versatile bioassay label based on marker-loaded apoferritin nanoparticles (MLANs) has been developed for sensitive protein detection. Dissociation and reconstitution characteristics at different pH as well as the special cavity structure of apoferritin provides a facile route to prepare nanoparticle labels and avoid the complicated and tedious synthesis process of conventional nanoparticle labels. The optical and electrochemical characteristics of the prepared nanoparticle labels are easily controlled by loading different optical or electrochemical markers. A fluorescence marker (fluorescein anion) and a redox marker [hexacyanoferrate(III)] were used as model markers to load into the cavity of apoferritin nanoparticles for microscopic fluorescence immunoassay and electrochemical immunoassay, respectively. Detection limits of 0.06 (0.39 pM) and 0.08 ng mL(-1) (0.52 pM) IgG were obtained with fluorescein MLAN and hexacyanoferrate MLANs, respectively. The new nanoparticle labels hold great promise for multiplex protein detection (in connection with nanoparticles loaded with different markers) and for enhancing the sensitivity of other bioassays. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Lin, YH (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM yuehe.lin@pnl.gov RI Lin, Yuehe/D-9762-2011 OI Lin, Yuehe/0000-0003-3791-7587 NR 32 TC 65 Z9 68 U1 1 U2 28 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 J9 ANAL CHEM JI Anal. Chem. PD NOV 1 PY 2006 VL 78 IS 21 BP 7417 EP 7423 DI 10.1021/ac060653j PG 7 WC Chemistry, Analytical SC Chemistry GA 100LG UT WOS:000241670000022 PM 17073407 ER PT J AU Waldron, JL Bennett, SH Welch, SM Dorcas, ME Lanham, JD Kalinowsky, W AF Waldron, J. L. Bennett, S. H. Welch, S. M. Dorcas, M. E. Lanham, J. D. Kalinowsky, W. TI Habitat specificity and home-range size as attributes of species vulnerability to extinction: a case study using sympatric rattlesnakes SO ANIMAL CONSERVATION LA English DT Article DE eastern diamondback rattlesnake; canebrake rattlesnake; Crotalus adamanteus; Crotalus horridus; home range; habitat specificity; habitat selection; pine savanna ID CROTALUS-HORRIDUS; LONGLEAF; MOVEMENT; SNAKES; RISK; FIRE AB Large home-range size and habitat specificity are two commonly cited ecological attributes that are believed to contribute to species vulnerability. The eastern diamondback rattlesnake Crotalus adamanteus is a declining species that occurs sympatrically with the more abundant canebrake rattlesnake Crotalus horridus in a portion of the south-eastern Coastal Plain, USA. In this study, we use the ecological similarities of the two species as experimental controls to test the role of home-range size and habitat specificity in the imperilment of the eastern diamondback rattlesnake. We used analysis of variance to investigate differences in home-range size between the two species, and home-range selection was modeled as habitat use versus availability with a case control sampling design using logistic regression. We failed to detect differences in home-range size between the two species; therefore, we could not identify home-range size as an attribute contributing to the imperilment of eastern diamondback rattlesnakes. Eastern diamondback rattlesnakes selected pine savannas to a degree that suggests that the species is a habitat specialist. Of the two factors examined, habitat specificity to the imperiled longleaf pine ecosystem may be a significant contributor to the decline of the eastern diamondback rattlesnake. C1 Clemson Univ, Dept Forestry & Nat Resources, Clemson, SC USA. S Carolina Dept Nat Resources, Columbia, SC USA. Davidson Coll, Dept Biol, Charlotte, NC USA. S Carolina Dept Nat Resources, Webb Wildlife Ctr, Garnett, SC USA. RP Waldron, JL (reprint author), Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. EM waldron@srel.edu NR 47 TC 28 Z9 29 U1 0 U2 31 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 1367-9430 J9 ANIM CONSERV JI Anim. Conserv. PD NOV PY 2006 VL 9 IS 4 BP 414 EP 420 DI 10.1111/j.1469-1795.2006.00050.x PG 7 WC Biodiversity Conservation; Ecology SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 096OM UT WOS:000241386700011 ER PT J AU Jagust, WJ Mungas, D Haan, MN AF Jagust, William J. Mungas, Dan Haan, Mary N. TI Low incidence for predementia and dementia syndromes in a brain imaging study - Reply SO ANNALS OF NEUROLOGY LA English DT Letter C1 Lawrence Berkeley Natl Lab, Berkeley, CA USA. Univ Calif Davis, Sch Med, Dept Neurol, Davis, CA 95616 USA. Univ Michigan, Dept Epidemiol, Sch Publ Hlth, Ann Arbor, MI 48109 USA. RI Mungas, Dan/E-6810-2011 NR 2 TC 0 Z9 0 U1 0 U2 0 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0364-5134 J9 ANN NEUROL JI Ann. Neurol. PD NOV PY 2006 VL 60 IS 5 BP 619 EP 620 DI 10.1002/ana.21016 PG 2 WC Clinical Neurology; Neurosciences SC Neurosciences & Neurology GA 112RQ UT WOS:000242545100023 ER PT J AU Marco, EJ Bristow, J Cotter, PD Stevenson, RE Pennacchio, L Schwartz, CE Sherr, EH AF Marco, E. J. Bristow, J. Cotter, P. D. Stevenson, R. E. Pennacchio, L. Schwartz, C. E. Sherr, E. H. TI ARHGEF9: Identification of a novel X-linked mental retardation and behavior disorder gene SO ANNALS OF NEUROLOGY LA English DT Meeting Abstract CT 131st Annual Meeting of the American-Neurological-Association CY OCT 08-11, 2006 CL Chicago, IL SP Amer Neurol Assoc C1 Joint Genome Inst, LBNL, Berkeley, CA USA. Univ Calif San Francisco, Dept Med Genet, San Francisco, CA 94143 USA. Greenwood Genet Ctr, Greenwood, SC USA. Univ Calif San Francisco, Dept Neurol, San Francisco, CA 94143 USA. NR 0 TC 0 Z9 0 U1 1 U2 2 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0364-5134 J9 ANN NEUROL JI Ann. Neurol. PD NOV PY 2006 VL 60 IS 5 BP 635 EP 636 PG 2 WC Clinical Neurology; Neurosciences SC Neurosciences & Neurology GA 112RQ UT WOS:000242545100058 ER PT J AU Loaiza, D Gehman, D AF Loaiza, David Gehman, Daniel TI End of an era for the Los Alamos Critical Experiments Facility: History of critical assemblies and experiments (1946-2004) SO ANNALS OF NUCLEAR ENERGY LA English DT Article AB The Los Alamos Critical Experiments Facility (LACEF) was the last operational, general-purpose, critical-mass laboratory in the United States. The long history of remote operations and large-scale critical-mass experiments at LACEF began in 1948, and it effectively ended in July 8th, 2004, when the last critical experiment was performed on the Planet critical assembly. The experimental activities at the Pajarito Site began in April 1946 as a way to obtain subcritical measurements for weapons safety guidance. A year later, the first Kiva (a concrete- reinforced building) was constructed, and 18 months afterward the first remote critical operation was reported with the Topsy critical assembly. In the early years, the Pajarito Site primarily supported the weapons program; later, for almost 17 years, the neutronics of the Rover nuclear-propulsion program dominated activities at Pajarito Site. More recently, Pajarito Site added some new dimensions to its operations in order to support emergency response, the Nuclear Criticality Safety Program, and radiation-detection development. The long history of critical-assembly measurements and operations is documented in hundreds of peer-reviewed technical papers, laboratory reports, personal files, and video sessions with some of the pioneers. It is the intent of this paper to capture, in one single document, a summary and the highlights of the glorious days of this facility. In essence, this paper is a summary of the programs conducted in the last 58 years and of the numerous critical assemblies and reactors that operated at LACEF. It also provides a list of references to the reader who might want to learn more about this facility's rich history. Published by Elsevier Ltd. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Loaiza, D (reprint author), Los Alamos Natl Lab, POB 1663 J562, Los Alamos, NM 87545 USA. EM dloaiza@lanl.gov NR 41 TC 5 Z9 8 U1 0 U2 0 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0306-4549 J9 ANN NUCL ENERGY JI Ann. Nucl. Energy PD NOV-DEC PY 2006 VL 33 IS 17-18 BP 1339 EP 1359 DI 10.1016/j.anucene.2006.09.009 PG 21 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 139CV UT WOS:000244410600001 ER PT J AU Bragg-Sitton, SM Holloway, JP AF Bragg-Sitton, Shannon M. Holloway, James Paul TI Autonomous reactor control using model based predictive control for space propulsion applications SO ANNALS OF NUCLEAR ENERGY LA English DT Article AB Reliable reactor control is important to reactor safety, both in terrestrial and space systems. For a space system, where the time for communication to Earth is significant, autonomous control is imperative. Based on feedback from reactor diagnostics, a controller Must be able to automatically adjust to changes in reactor temperature and power level to maintain nominal operation without user intervention. Model-based predictive control (MBPC) is investigated as a potential control methodology for reactor start-up and transient operation in the presence of either a constant or a time varying external source. Bragg-Sitton and Holloway [Bragg-Sitton, S.M., Holloway, J.P., 2004. Reactor start-up and control methodologies. In: El-Genk, M. (Ed.), Proceedings of the Space Technology and Applications International Forum (STAIF-2004), AIP Conference Proceedings 699, pp. 614-622.] assessed the applicability of MBPC to reactor startup from a cold, zero-power condition in the presence of a time-varying external radiation source, where large fluctuations in the external radiation source can significantly impact a reactor during start-up operations. Here the MBPC algorithm is applied using the point kinetics model to describe the reactor dynamics, with a single group of delayed neutrons and a fast neutron lifetime of 10(-7) s. Controller stability is assessed by carefully considering the dependencies of each component in the defined cost (objective) function and its subsequent effect on the selected "optimal" control maneuvers. Additional analysis demonstrates the effectiveness of the controller when a lower fidelity reactor kinetics model is adopted for the model system versus using a full six-group delayed neutron representation in the point kinetics equations to represent the "real" system operation. (c) 2006 Elsevier Ltd. All rights reserved. C1 Univ Michigan, Ann Arbor, MI 48109 USA. RP Bragg-Sitton, SM (reprint author), Los Alamos Natl Lab, Nucl Syst Design Grp, Decis Applicat Div, POB 1663,MS K575, Los Alamos, NM 87545 USA. EM sitton@lanl.gov NR 13 TC 3 Z9 3 U1 1 U2 3 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0306-4549 J9 ANN NUCL ENERGY JI Ann. Nucl. Energy PD NOV-DEC PY 2006 VL 33 IS 17-18 BP 1368 EP 1378 DI 10.1016/j.anucene.2006.09.007 PG 11 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 139CV UT WOS:000244410600003 ER PT J AU Altland, A Glazman, LI Kamenev, A Meyer, JS AF Altland, A. Glazman, L. I. Kamenev, A. Meyer, J. S. TI Inelastic electron transport in granular arrays SO ANNALS OF PHYSICS LA English DT Article DE quantum transport; localization; coulomb blockade; instantons; granular arrays; metal-insulator transition ID WIGNER-DYSON STATISTICS; TUNNEL-JUNCTIONS; COULOMB-BLOCKADE; SIGMA-MODEL; PHASE-TRANSITIONS; DISORDERED METALS; SYSTEMS; SUPERCONDUCTORS; CHARGE; CONDUCTIVITY AB Transport properties of granular systems are governed by Coulomb blockade effects caused by the discreteness of the electron charge. We show that, in the limit of vanishing mean level spacing on the grains, the low-temperature behavior of 1d and 2d arrays is insulating at any inter-grain coupling (characterized by a dimensionless conductance g). In 2d and g >> 1, there is a sharp Berezinskii-Kosterlitz-Thouless crossover to the conducting phase at a certain temperature, T-BKT. These results are obtained by applying an instanton analysis to map the conventional 'phase' description of granular arrays onto the dual 'charge' representation. Published by Elsevier Inc. C1 Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. Univ Minnesota, WI Fine Theoret Phys Inst, Minneapolis, MN 55455 USA. Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. Argonne Natl Lab, Dept Phys, Argonne, IL 60439 USA. Univ Cologne, Inst Theoret Phys, D-50937 Cologne, Germany. RP Meyer, JS (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM jmeyer@mps.ohio-state.edu RI Meyer, Julia/G-4690-2016 NR 55 TC 14 Z9 14 U1 0 U2 2 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0003-4916 J9 ANN PHYS-NEW YORK JI Ann. Phys. PD NOV PY 2006 VL 321 IS 11 BP 2566 EP 2603 DI 10.1016/j.aop.2005.12.012 PG 38 WC Physics, Multidisciplinary SC Physics GA 104CX UT WOS:000241934700006 ER PT J AU Barak, Y Ackerley, DF Dodge, CJ Banwari, L Alex, C Francis, AJ Matin, A AF Barak, Y. Ackerley, D. F. Dodge, C. J. Banwari, L. Alex, C. Francis, A. J. Matin, A. TI Analysis of novel soluble chromate and uranyl reductases and generation of an improved enzyme by directed evolution SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID COMPLETE GENOME SEQUENCE; ESCHERICHIA-COLI K-12; PSEUDOMONAS-PUTIDA; CR(V) INTERMEDIATE; DT-DIAPHORASE; REDUCTION; URANIUM; CHROMIUM; CELLS; ENVIRONMENTS AB Most polluted sites contain mixed waste. This is especially true of the U.S. Department of Energy (DOE) waste sites which hold a complex mixture of heavy metals, radionuclides, and organic solvents. In such environments enzymes that can remediate multiple pollutants are advantageous. We report here evolution of an enzyme, ChrR6 (formerly referred to as Y6), which shows a markedly enhanced capacity for remediating two of the most serious and prevalent DOE contaminants, chromate and uranyl. ChrR6 is a soluble enzyme and reduces chromate and uranyl intracellularly. Thus, the reduced product is at least partially sequestered and nucleated, minimizing the chances of reoxidation. Only one amino acid change, (Tyr)128(Asn), was responsible for the observed improvement. We show here that ChrR6 makes Pseudomonas putida and Escherichia coli more efficient agents for bioremediation if the cellular permeability barrier to the metals is decreased. C1 Stanford Univ, Dept Microbiol & Immunol, Sch Med, Stanford, CA 94305 USA. Brookhaven Natl Lab, Dept Environm Sci, Upton, NY 11973 USA. RP Matin, A (reprint author), Stanford Univ, Dept Microbiol & Immunol, Sch Med, 299 Campus Dr W,Sherman Fairchild D317, Stanford, CA 94305 USA. EM a.matin@stanford.edu OI Matin, A. C./0000-0003-4468-980X; Ackerley, David/0000-0002-6188-9902 NR 41 TC 29 Z9 33 U1 1 U2 7 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD NOV PY 2006 VL 72 IS 11 BP 7074 EP 7082 DI 10.1128/AEM.01334-06 PG 9 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 105BH UT WOS:000242003800027 PM 17088379 ER PT J AU Fasenfest, BJ Capolino, F Wilton, DR AF Fasenfest, B. J. Capolino, F. Wilton, D. R. TI Preconditioned GIFFT: A fast MoM solver for large arrays of printed antennas SO APPLIED COMPUTATIONAL ELECTROMAGNETICS SOCIETY JOURNAL LA English DT Article DE array antennas; fast solvers; method of moments; periodic structures ID ELECTROMAGNETIC SCATTERING; ARBITRARY SHAPE; PHASED-ARRAYS; PART I; RADIATION; ALGORITHM; SURFACES AB A new type of fast method of moments (MoM) solution scheme using standard basis functions for large arrays with arbitrary contours and/or missing elements is applied to array antennas in a layered configuration. The efficiency of the method relies on use of the FFT along with approximating the Green's function as a separable sum of interpolation functions defined on a relatively sparse, uniform grid. The method is ideally suited for solving array problems, and its effectiveness is demonstrated here for planar arrays of printed antennas. Both fill and solve times, as well as memory requirements, are dramatically improved with respect to standard MoM solvers. C1 Univ Houston, Dept Elect & Comp Engn, Houston, TX USA. Lawrence Livermore Natl Lab, Livermore, CA USA. Univ Siena, Dept Informat Engn, I-53100 Siena, Italy. RP Fasenfest, BJ (reprint author), Univ Houston, Dept Elect & Comp Engn, Houston, TX USA. EM capolino@dii.unisi.it; wilton@uh.edu NR 18 TC 8 Z9 8 U1 0 U2 2 PU APPLIED COMPUTATIONAL ELECTROMAGNETICS SOCIETY PI UNIVERSITY PA UNIV MISSISSIPPI, DEPT ELECTRICAL ENGINEERING, UNIVERSITY, MS 38677 USA SN 1054-4887 J9 APPL COMPUT ELECTROM JI Appl. Comput. Electromagn. Soc. J. PD NOV PY 2006 VL 21 IS 3 BP 276 EP 283 PG 8 WC Engineering, Electrical & Electronic; Telecommunications SC Engineering; Telecommunications GA 112FG UT WOS:000242510500011 ER PT J AU Cheng, G Stern, E Guthrie, S Reed, MA Klie, R Hao, YF Meng, G Zhang, L AF Cheng, G. Stern, E. Guthrie, S. Reed, M. A. Klie, R. Hao, Y. F. Meng, G. Zhang, L. TI Indium oxide nanostructures SO APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING LA English DT Article ID CRYSTALLINE IN2O3 NANOWIRES; ELECTRONIC-PROPERTIES; CHEMICAL SENSORS; ARRAYS; FABRICATION; NANOBELTS; GROWTH; ROUTE; NANOTUBES; TRANSPORT AB In this report we review the growth of indium oxide (In(2)O(3)) nanostructures, including octahedral nanocrystals (NCs), nanobelts (NBs), nanosheets (NSs), and nanowires (NWs), by hot-wall chemical vapor deposition (HW-CVD). This system is highly controllable, allowing the user to easily access different growth regimes - each corresponding to the growth of a different nanostructure - by changing growth variables of the HW-CVD system. Hot-wall CVD produces crystalline nanostructures; here we present a survey of microstructural characterizations of the four types of In(2)O(3) nanostructures using transmission- and scanning-electron microscopy. Interestingly, the In(2)O(3) nanostructures have different preferred growth directions: NCs have (111) faces, NBs are predominantly (200), and NWs are predominantly (110). We end the review by discussing the current shortcomings of HW-CVD growth of In(2)O(3) nanostructures. C1 Yale Univ, Dept Elect Engn, New Haven, CT 06520 USA. Yale Univ, Dept Phys, New Haven, CT 06520 USA. Yale Univ, Dept Biomed Engn, New Haven, CT 06520 USA. Yale Univ, Dept Appl Phys, New Haven, CT 06520 USA. Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. Chinese Acad Sci, Inst Solid State Phys, Hefei 230031, Peoples R China. RP Cheng, G (reprint author), Yale Univ, Dept Elect Engn, POB 208284, New Haven, CT 06520 USA. EM guosheng.cheng@yale.edu; eric.stern@yale.edu RI hao, yufeng/B-9178-2013; Cheng, Guosheng/S-3401-2016 OI Cheng, Guosheng/0000-0003-4810-9403 NR 49 TC 46 Z9 47 U1 4 U2 16 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0947-8396 J9 APPL PHYS A-MATER JI Appl. Phys. A-Mater. Sci. Process. PD NOV PY 2006 VL 85 IS 3 BP 233 EP 240 DI 10.1007/s00339-006-3706-x PG 8 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 096CP UT WOS:000241354900004 ER PT J AU Bisson, SE Kulp, TJ Levi, O Harris, JS Fejer, MM AF Bisson, S. E. Kulp, T. J. Levi, O. Harris, J. S. Fejer, M. M. TI Long-wave IR chemical sensing based on difference frequency generation in orientation-patterned GaAs SO APPLIED PHYSICS B-LASERS AND OPTICS LA English DT Article ID RING-DOWN SPECTROSCOPY; OPTICAL PARAMETRIC OSCILLATOR; POLED LITHIUM-NIOBATE; GAS SENSOR; LASER; AMPLIFIER; ALIGNMENT; MODE AB The combination of continuous-wave difference frequency generation based on quasi-phase-matched (QPM) gallium arsenide with cavity ring-down spectroscopy is explored for use in spectroscopic and chemical sensing applications. The advent of QPM materials based on orientation-patterned GaAs (OP-GaAs) offers a significant advantage over traditional ferroelectric QPM materials of extended wavelength coverage into the spectroscopically important 8-12 mu m region. In this work, the outputs from two tunable, external cavity diode lasers covering the 1.3 mu m and 1.5 mu m telecom bands were amplified then mixed in an orientation-patterned GaAs crystal, producing several microwatts of tunable radiation in the 7-9 mu m region. We also evaluate the use of a low-power DFG source for use in cavity ring-down spectroscopy. C1 Sandia Natl Labs, Livermore, CA 94551 USA. Stanford Univ, EL Ginzton Lab, Stanford, CA 94305 USA. RP Bisson, SE (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA. EM sebisso@sandia.gov RI Schaff, William/B-5839-2009 NR 28 TC 16 Z9 16 U1 2 U2 12 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 0946-2171 J9 APPL PHYS B-LASERS O JI Appl. Phys. B-Lasers Opt. PD NOV PY 2006 VL 85 IS 2-3 BP 199 EP 206 DI 10.1007/s00340-006-2311-1 PG 8 WC Optics; Physics, Applied SC Optics; Physics GA 087EG UT WOS:000240724900005 ER PT J AU Wojcik, MD Phillips, MC Cannon, BD Taubman, MS AF Wojcik, M. D. Phillips, M. C. Cannon, B. D. Taubman, M. S. TI Gas-phase photoacoustic sensor at 8.41 mu m using quartz tuning forks and amplitude-modulated quantum cascade lasers SO APPLIED PHYSICS B-LASERS AND OPTICS LA English DT Article ID CONTINUOUS-WAVE OPERATION AB We demonstrate the performance of a novel infrared photoacoustic laser absorbance sensor for gas-phase species using an amplitude-modulated quantum cascade (QC) laser and a quartz tuning fork microphone. The photoacoustic signal was generated by focusing 5.3 mW of a Fabry-Perot QC laser operating at 8.41 mu m between the tines of a quartz tuning fork which served as a transducer for the transient acoustic pressure wave. The sensitivity of this sensor was calibrated using the infrared absorber Freon 134a by performing a simultaneous absorption measurement using a 31-cm absorption cell. The power and bandwidth normalized noise equivalent absorption sensitivity (NEAS) of this sensor was determined to be D=2.0x10(-8) W cm(-1)/root Hz. A corresponding theoretical analysis of the instrument sensitivity is presented and is capable of quantitatively reproducing the experimental NEAS, indicating that the fundamental sensitivity of this technique is limited by the noise floor of the tuning fork itself. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Wojcik, MD (reprint author), Pacific NW Natl Lab, POB 999,K5-25, Richland, WA 99352 USA. EM michael.wojcik@pnl.gov NR 17 TC 36 Z9 38 U1 4 U2 8 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 0946-2171 J9 APPL PHYS B-LASERS O JI Appl. Phys. B-Lasers Opt. PD NOV PY 2006 VL 85 IS 2-3 BP 307 EP 313 DI 10.1007/s00340-006-2394-8 PG 7 WC Optics; Physics, Applied SC Optics; Physics GA 087EG UT WOS:000240724900021 ER PT J AU Patterson, BM Havrilla, GJ AF Patterson, Brian M. Havrilla, George J. TI Attenuated total internal reflection infrared microspectroscopic imaging using a large-radius germanium internal reflection element and a linear array detector SO APPLIED SPECTROSCOPY LA English DT Article DE Fourier transform infrared spectroscopy; FT-IR spectroscopy; attenuated total internal reflection; microspectroscopy; imaging; internal reflection element; IRE; pharmaceuticals; polymers forensics ID X-RAY-FLUORESCENCE; PHARMACEUTICAL FORMULATIONS; MAPPING MICROSPECTROSCOPY; SPATIAL-RESOLUTION; SPECTROSCOPY; RAMAN; ACETAMINOPHEN; MICROANALYSIS; SYNCHROTRON; MICROSCOPY AB The number of techniques and instruments available for Fourier transform infrared (FT-IR) microspectroscopic imaging has grown significantly over the past few years. Attenuated total internal reflectance (ATR) FT-IR microspectroscopy reduces sample preparation time and has simplified the analysis of many difficult samples. FT-IR imaging has become a powerful analytical tool using either a focal plane array or a linear array detector, especially when coupled with a chemometric analysis package. The field of view of the ATR-IR microspectroscopic imaging area can be greatly increased from 300 X 300 pro to 2500 X 2500 mu m using a larger internal reflection element of 12.5 mm radius instead of the typical 1.5 mm radius. This gives an area increase of 70X before aberrant effects become too great. Parameters evaluated include the change in penetration depth as a function of beam displacement, measurements of the active area, magnification factor, and change in spatial resolution over the imaging area. Drawbacks such as large file size will also be discussed. This technique has been successfully applied to the FT-IR imaging of polydimethylsiloxane foam cross-sections, latent human fingerprints, and a model inorganic mixture, which demonstrates the usefulness of the method for pharmaceuticals. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Patterson, BM (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM bpatterson@lanl.gov OI Patterson, Brian/0000-0001-9244-7376 NR 39 TC 25 Z9 25 U1 1 U2 14 PU SOC APPLIED SPECTROSCOPY PI FREDERICK PA 201B BROADWAY ST, FREDERICK, MD 21701 USA SN 0003-7028 J9 APPL SPECTROSC JI Appl. Spectrosc. PD NOV PY 2006 VL 60 IS 11 BP 1256 EP 1266 PG 11 WC Instruments & Instrumentation; Spectroscopy SC Instruments & Instrumentation; Spectroscopy GA 109AZ UT WOS:000242281600005 PM 17132442 ER PT J AU Fort, DJ Rogers, RL Thomas, JH Hopkins, WA Schlekat, C AF Fort, Douglas J. Rogers, Robert L. Thomas, John H. Hopkins, William A. Schlekat, Christian TI Comparative developmental toxicity of nickel to Gastrophryne carolinensis, Bufo terrestris, and Xenopus laevis SO ARCHIVES OF ENVIRONMENTAL CONTAMINATION AND TOXICOLOGY LA English DT Article ID METABOLIC-ACTIVATION SYSTEM; EMBRYO TERATOGENESIS ASSAY; INTERLABORATORY VALIDATION; PHASE-III; FETAX; NI2+; CO2+; CD2+; ZN2+ AB The early embryo-larval developmental toxicity of nickel (Ni) to 3 amphibian species, Xenopus laevis (South African clawed frog), Bufo terrestris (southern toad), and Gastrophryne carolinensis (eastern narrow-mouthed toad), was evaluated using a modified FETAX model. Studies were initiated from late blastulae stage (Nieuwkoop and Faber [NF] stage 10 or Gosner stage 12) and completed at a common embryological-based test termination point, which represented the completion of the major stages of organogenesis (NF stage 46 for Xenopus or Gosner stage 26 for the toads). Results indicated that, in terms of lethality, G. carolinensis was the most sensitive and X. laevis was the least sensitive of the species tested. The 4-d LC50 in X. laevis value was approximately 7.2- and 2.8-fold greater than the G. carolinensis and B. terrestris, respectively. In terms of malformation, X. laevis was the most sensitive and B. terrestris was the least sensitive of the species tested. The 7-d EC50 (malformation) in B. terrestris was 10.6- and 7.0-fold greater than X. laevis or G. carolinensis, respectively. The chronic value (ChV) for growth in X. laevis was nearly 4.5-fold less than the ChV for growth determined for B. terrestris. As with the malformation endpoint, X. laevis was more sensitive than the other species, which were nearly equisensitive. Overall, the present study provides new data regarding the toxicity of Ni to larval amphibian species, which may be useful in the establishment of new aquatic life criteria for Ni. C1 Ft Environm Labs Inc, Stillwater, OK USA. Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29801 USA. Virginia Polytech Inst & State Univ, Dept Fisheries & Wildlife Sci, Blacksburg, VA 24061 USA. NiPERA, Durham, NC USA. RP Fort, DJ (reprint author), Ft Environm Labs Inc, Stillwater, OK USA. EM djfort@fortlabs.com NR 28 TC 8 Z9 12 U1 0 U2 4 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 0090-4341 J9 ARCH ENVIRON CON TOX JI Arch. Environ. Contam. Toxicol. PD NOV PY 2006 VL 51 IS 4 BP 703 EP 710 DI 10.1007/s00244-005-0217-2 PG 8 WC Environmental Sciences; Toxicology SC Environmental Sciences & Ecology; Toxicology GA 094TW UT WOS:000241263000028 PM 16998636 ER PT J AU Lasher, S Zogg, R Carlson, E Couch, P Hooks, M Roth, K Brodrick, J AF Lasher, Stephen Zogg, Robert Carlson, Eric Couch, Patrick Hooks, Matthew Roth, Kurt Brodrick, James TI PEM fuel cells for distributed generation SO ASHRAE JOURNAL LA English DT Editorial Material C1 TIAX LLC, Cambridge, MA USA. US DOE, Bldg Technol Program, Washington, DC USA. RP Lasher, S (reprint author), TIAX LLC, Cambridge, MA USA. NR 5 TC 2 Z9 2 U1 0 U2 1 PU AMER SOC HEATING REFRIGERATING AIR-CONDITIONING ENG, INC, PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA SN 0001-2491 J9 ASHRAE J JI ASHRAE J. PD NOV PY 2006 VL 48 IS 11 BP 45 EP 48 PG 4 WC Thermodynamics; Construction & Building Technology; Engineering, Mechanical SC Thermodynamics; Construction & Building Technology; Engineering GA 105DP UT WOS:000242009900020 ER PT J AU Sivarani, T Beers, TC Bonifacio, P Molaro, P Cayrel, R Herwig, F Spite, M Spite, F Plez, B Andersen, J Barbuy, B Depagne, E Hill, V Francois, P Nordstrom, B Primas, F AF Sivarani, T. Beers, T. C. Bonifacio, P. Molaro, P. Cayrel, R. Herwig, F. Spite, M. Spite, F. Plez, B. Andersen, J. Barbuy, B. Depagne, E. Hill, V. Francois, P. Nordstrom, B. Primas, F. TI First stars X. The nature of three unevolved carbon-enhanced metal-poor stars SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE stars : abundances; stars : population II; Galaxy : abundances; stars : AGB and post AGB ID NEUTRON-CAPTURE ELEMENTS; ASYMPTOTIC GIANT BRANCH; COMPREHENSIVE ABUNDANCE ANALYSIS; INTERMEDIATE-MASS STARS; S-PROCESS; LOW-METALLICITY; CHEMICAL-COMPOSITION; DEEP CIRCULATION; RED GIANTS; LITHIUM ABUNDANCE AB Context. On the order of 20% of the very metal-poor stars in the Galaxy exhibit large carbon enhancements. It is important to establish which astrophysical sites and processes are responsible for the elemental abundance patterns of this early Galactic population. Aims. We seek to understand the nature of the progenitors of three main-sequence turnoff Carbon-Enhanced Metal-Poor (CEMP) stars, CS 31080-095, CS 22958-042, and CS 29528-041, based on a detailed abundance analysis. Methods. From high-resolution VLT/UVES spectra (R similar to 43 000), we determine abundances or upper limits for Li, C, N, O, and other important elements, as well as C-12/C-13 isotopic ratios. Results. All three stars have -3.30 <= [Fe/H]<= -2.85 and moderate to high CNO abundances. CS 22958-042 is one of the most carbon-rich CEMP stars known ([C/Fe] = +3.2), while CS 29528-041 (one of the few N-enhanced metal-poor stars known) is one of the most nitrogen rich ([N/Fe] = +3.0). Oxygen is very high in CS 31080-095 ([O/Fe] = +2.35) and in CS 22958-042 ([O/Fe] = +1.35). All three stars exhibit [Sr/Fe] < 0; Ba is not detected in CS 22958-042 ([Ba/Fe] < -0.53),but it is moderately enhanced ([Ba/Fe] similar to 1) in the other two stars. CS 22958-042 displays one of the largest sodium overabundances yet found in CEMP stars ([Na/Fe] = +2.8). CS 22958-042 has C-12/C-13 = 9, similar to most other CEMP stars without enhanced neutron-capture elements, while C-12/C-13 = 40 in CS 31080-095. CS 31080-095 and CS 29528-041 have A(Li) similar to 1.7, below the Spite Plateau, while Li is not detected in CS 22958-042. Conclusions. CS 22958-042 is a CEMP-no star, but the other two stars are in no known class of CEMP star and thus either constitute a new class or are a link between the CEMP-no and CEMP-s classes, adding complexity to the abundance patterns for CEMP stars. We interpret the abundance patterns in our stars to imply that current models for the presumed AGB binary progenitors lack an extra-mixing process, similar to those apparently operating in RGB stars. C1 Michigan State Univ, Dept Phys & Astron, CSCE, E Lansing, MI 48824 USA. Michigan State Univ, JINA, E Lansing, MI 48824 USA. Observ Paris, GEPI, F-92195 Meudon, France. Osserv Astron Trieste, Ist Nazl Astrofis, I-34131 Trieste, Italy. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Montpellier 2, GRAAL, F-34095 Montpellier 05, France. Niels Bohr Inst, DK-2100 Copenhagen, Denmark. Nordic Opt Telescope Sci Assoc, Santa Cruz De La Palma 38700, Spain. Univ Sao Paulo, Dept Astron, BR-05508900 Sao Paulo, Brazil. European So Observ, Santiago 19, Chile. Lund Univ, S-22100 Lund, Sweden. ESO, D-85749 Garching, Germany. RP Sivarani, T (reprint author), Michigan State Univ, Dept Phys & Astron, CSCE, E Lansing, MI 48824 USA. EM thirupathi@pa.msu.edu RI Plez, Bertrand/G-6697-2011; OI Plez, Bertrand/0000-0002-0398-4434; Molaro, Paolo/0000-0002-0571-4163 NR 92 TC 66 Z9 66 U1 0 U2 0 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 1432-0746 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD NOV PY 2006 VL 459 IS 1 BP 125 EP 135 DI 10.1051/0004-6361:20065440 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 102CT UT WOS:000241789100016 ER PT J AU Battaglia, G Tolstoy, E Helmi, A Irwin, MJ Letarte, B Jablonka, P Hill, V Venn, KA Shetrone, MD Arimoto, N Primas, F Kaufer, A Francois, P Szeifert, T Abel, T Sadakane, K AF Battaglia, G. Tolstoy, E. Helmi, A. Irwin, M. J. Letarte, B. Jablonka, P. Hill, V. Venn, K. A. Shetrone, M. D. Arimoto, N. Primas, F. Kaufer, A. Francois, P. Szeifert, T. Abel, T. Sadakane, K. TI The DART imaging and CaT survey of the Fornax dwarf spheroidal galaxy SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE galaxies : dwarf; galaxies : individual : Fornax; galaxies : kinematics and dynamics; galaxies : stellar content; galaxies : Local Group; stars : abundances ID EXPLORING HALO SUBSTRUCTURE; CLUSTER METALLICITY SCALE; GLOBULAR-CLUSTERS; STAR-CLUSTERS; II TRIPLET; 2ND-PARAMETER PROBLEM; BRIGHTNESS PROFILES; STELLAR POPULATIONS; Y-2 ISOCHRONES; GIANT STARS AB Aims. As part of the DART project we have used the ESO ESO/2.2m Wide Field Imager in conjunction with the VLT/FLAMES(star star) GIRAFFE spectrograph to study the detailed properties of the resolved stellar population of the Fornax dwarf spheroidal galaxy out to and beyond its tidal radius. Fornax dwarf spheroidal galaxy has had a complicated evolution and contains significant numbers of young, intermediate age and old stars. We investigate the relation between these different components by studying their photometric, kinematic and abundance distributions. Methods. We re-derived the structural parameters of the Fornax dwarf spheroidal using our wide field imaging covering the galaxy out to its tidal radius, and analysed the spatial distribution of the Fornax stars of different ages as selected from colour-magnitude diagram analysis. We have obtained accurate velocities and metetallicities from spectra in the Ca II triplet wavelength region for 562 Red Giant Branch stars which have velocities consistent with membership of the Fornax dwarf spheroidal. Results. We have found evidence for the presence of at least three distinct stellar components: a young population ( few 100 Myr old) concentrated in the centre of the galaxy, visible as a Main Sequence in the colour-magnitude diagram; an intermediate age population ( 2-8 Gyr old); and an ancient population ( (> 10 Gyr), which are distinguish distinguishable from each other kinematically, from the metallicity, distribution and in the spatial distribution of stars found in the colour-magnitude diagram. Conclusions. From our spectroscopic analysis we find that the "metal rich" stars ([Fe/H] > -1.3) show a less extended and more concentrated spatial distribution, and display colder kinematics than the "metal poor" stars ([Fe/H] < -1.3). There is tentative evidence that the ancient stellar population in the centre of Fornax does not exhibit equilibrium kinematics. This could be a sign of a relatively recent accretion of external material, such as the mer merger of another galaxy or other means of gas accretion at some point in the fairly recent past, consistent with other recent evidence of substructure ( Coleman et al. 2004, AJ, 127, 832; 2005, AJ, 129, 1443). C1 Univ Groningen, Kapteyn Astron Inst, NL-9700 AV Groningen, Netherlands. Univ Cambridge, Inst Astron, Cambridge CB3 0HA, England. EPFL, Astrophys Lab, Observ Geneva, CH-1290 Sauverny, Switzerland. Observ Meudon, F-92195 Meudon, France. Univ Victoria, Dept Phys & Astron, Victoria, BC V8P 1A1, Canada. Natl Astron Observ, Mitaka, Tokyo 1818588, Japan. European So Observ, D-85748 Garching, Germany. European So Observ, Santiago, Spain. Stanford Univ, Kavli Inst Particle Astrophys & Cosmol, Dept Phys, Menlo Pk, CA 94044 USA. Stanford Univ, Stanford Linear Accelerator Ctr, Menlo Pk, CA 94044 USA. Osaka Kyoiku Univ, Astron Inst, Kashiwara, Osaka 5818582, Japan. RP Battaglia, G (reprint author), Univ Groningen, Kapteyn Astron Inst, Postbus 800, NL-9700 AV Groningen, Netherlands. EM gbattag1@astro.rug.nl OI Battaglia, Giuseppina/0000-0002-6551-4294 NR 69 TC 167 Z9 167 U1 0 U2 2 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 0004-6361 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD NOV PY 2006 VL 459 IS 2 BP 423 EP U148 DI 10.1051/0004-6361:20065720 PG 31 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 102OW UT WOS:000241822800012 ER PT J AU Einasto, J Einasto, M Saar, E Tago, E Liivamagi, LJ Joeveer, M Suhhonenko, I Hutsi, G Jaaniste, J Heinamaki, P Muller, V Knebe, A Tucker, D AF Einasto, J. Einasto, M. Saar, E. Tago, E. Liivamagi, L. J. Joeveer, M. Suhhonenko, I. Hutsi, G. Jaaniste, J. Heinamaki, P. Muller, V. Knebe, A. Tucker, D. TI Luminous superclusters: remnants from inflation? SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE cosmology : large-scale structure of Universe; galaxies : clusters : general ID 2DF GALAXY REDSHIFT; DIGITAL SKY SURVEY; SHAPLEY SUPERCLUSTER; RICH CLUSTERS; VOID NETWORK; CATALOG; UNIVERSE; ABELL AB Aims.We compile a supercluster sample using the Sloan Digital Sky Survey Data Release 4, and reanalyse supercluster samples found for the 2dF Galaxy Redshift Survey and for simulated galaxies of the Millennium Run. Methods. We find for all supercluster samples Density Field (DF) clusters, which represent high-density peaks of the class of Abell clusters, and use median luminosities of richness class 1 DF-clusters to calculate relative luminosity functions. Results. We show that the fraction of very luminous superclusters in real samples is about five times greater than in simulated samples. Conclusions. Superclusters are generated by large-scale density perturbations that evolve very slowly. The absence of very luminous superclusters in simulations can be explained either by incorrect treatment of large-scale perturbations, or by some yet unknown processes in the very early Universe. C1 Tartu Astrophys Observ, EE-61602 Toravere, Estonia. Tuorla Observ, Piikkio, Finland. Astrophys Inst Potsdam, D-14482 Potsdam, Germany. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Einasto, J (reprint author), Tartu Astrophys Observ, EE-61602 Toravere, Estonia. RI Knebe, Alexander/N-1815-2014; OI Knebe, Alexander/0000-0003-4066-8307; Tucker, Douglas/0000-0001-7211-5729 NR 36 TC 37 Z9 37 U1 0 U2 0 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 0004-6361 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD NOV PY 2006 VL 459 IS 1 BP L1 EP L4 DI 10.1051/0004-6361:20065617 PG 4 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 102CT UT WOS:000241789100001 ER PT J AU Masi, S Ade, PAR Bock, JJ Bond, JR Borrill, J Boscaleri, A Cabella, P Contaldi, CR Crill, BP de Bernardis, P De Gasperis, G de Oliveira-Costa, A De Troia, G Di Stefano, G Ehlers, P Hivon, E Hristov, V Iacoangeli, A Jaffe, AH Jones, WC Kisner, TS Lange, AE MacTavish, CJ Bettolo, CM Mason, P Mauskopf, PD Montroy, TE Nati, F Nati, L Natoli, P Netterfield, CB Pascale, E Piacentini, F Pogosyan, D Polenta, G Prunet, S Ricciardi, S Romeo, G Ruhl, JE Santini, P Tegmark, M Torbet, E Veneziani, M Vittorio, N AF Masi, S. Ade, P. A. R. Bock, J. J. Bond, J. R. Borrill, J. Boscaleri, A. Cabella, P. Contaldi, C. R. Crill, B. P. de Bernardis, P. De Gasperis, G. de Oliveira-Costa, A. De Troia, G. Di Stefano, G. Ehlers, P. Hivon, E. Hristov, V. Iacoangeli, A. Jaffe, A. H. Jones, W. C. Kisner, T. S. Lange, A. E. MacTavish, C. J. Bettolo, C. Marini Mason, P. Mauskopf, P. D. Montroy, T. E. Nati, F. Nati, L. Natoli, P. Netterfield, C. B. Pascale, E. Piacentini, F. Pogosyan, D. Polenta, G. Prunet, S. Ricciardi, S. Romeo, G. Ruhl, J. E. Santini, P. Tegmark, M. Torbet, E. Veneziani, M. Vittorio, N. TI Instrument, method, brightness, and polarization maps from the 2003 flight of BOOMERanG SO ASTRONOMY & ASTROPHYSICS LA English DT Review DE instrumentation : polarimeters; techniques : polarimetric; ISM : clouds; ISM : HII regions; cosmic microwave background ID MICROWAVE BACKGROUND-RADIATION; PROBE WMAP OBSERVATIONS; ANGULAR POWER SPECTRUM; GALACTIC DUST EMISSION; ANISOTROPY-PROBE; COSMOLOGICAL PARAMETERS; CMB POLARIZATION; MAKING ALGORITHM; SCALE INTERFEROMETER; PLANCK SURVEYOR AB Aims. We present the boomerang-03 experiment, and the maps of the Stokes parameters I, Q, U of the microwave sky obtained during a 14 day balloon flight in 2003. Methods. Using a balloon-borne mm-wave telescope with polarization sensitive bolometers, three regions of the southern sky were surveyed: a deep survey (similar to 90 square degrees) and a shallow survey (similar to 750 square degrees) at high Galactic latitudes ( both centered at RA similar or equal to 5.5h, Dec similar or equal to - 45 degrees) and a survey of similar to 300 square degrees across the Galactic plane at RA similar or equal to 9.1h, dec similar or equal to - 47 degrees. All three surveys were carried out in three wide frequency bands centered at 145, 245 and 345 GHz, with an angular resolution of similar to 10'. Results. The 145 GHz maps of Stokes I are dominated by Cosmic Microwave Background ( CMB) temperature anisotropy, which is mapped with high signal to noise ratio. The measured anisotropy pattern is consistent with the pattern measured in the same region by boomerang-98 and by WMAP. The 145 GHz maps of Stokes Q and U provide a robust statistical detection of polarization of the CMB when subjected to a power spectrum analysis. The amplitude of the detected polarization is consistent with that of the CMB in the CDM cosmological scenario. At 145 GHz, in the CMB surveys, the intensity and polarization of the astrophysical foregrounds are found to be negligible with respect to the cosmological signal. At 245 and 345 GHz we detect ISD emission correlated to the 3000 GHz IRAS/DIRBE maps, and give upper limits for any other non-CMB component. When compared to monitors of different interstellar components, the intensity maps of the surveyed section of the Galactic plane show that a variety of emission mechanisms is present in that region. C1 Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. Cardiff Univ, Sch Phys & Astron, Cardiff CF1 1XL, S Glam, Wales. Jet Propuls Lab, Pasadena, CA USA. Univ Toronto, Canadian Inst Theoret Astrophys, Toronto, ON M5S 1A1, Canada. Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA. Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. CNR, IFAC, I-50127 Florence, Italy. Univ Roma Tor Vergata, Dipartimento Fis, I-00173 Rome, Italy. Univ London Imperial Coll Sci Technol & Med, Dept Phys, London SW7 2AZ, England. CALTECH, Ctr Infrared Proc & Anal, Pasadena, CA 91125 USA. MIT, Dept Phys, Cambridge, MA 02139 USA. Ist Nazl Geofis & Vulcanol, Rome, Italy. Univ Toronto, Dept Astron & Astrophys, Toronto, ON, Canada. CALTECH, Dept Astron, Pasadena, CA 91125 USA. Case Western Reserve Univ, Dept Phys, Cleveland, OH 44106 USA. Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. Univ Toronto, Dept Phys, Toronto, ON, Canada. Ist Nazl Fis Nucl, Sez Roma 2, Rome, Italy. Univ Alberta, Dept Phys, Edmonton, AB T6G 2M7, Canada. Inst Astrophys, F-75014 Paris, France. RP Masi, S (reprint author), Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. EM masi@roma1infn.it RI Jaffe, Andrew/D-3526-2009; de Gasperis, Giancarlo/C-8534-2012; Piacentini, Francesco/E-7234-2010; Nati, Federico/I-4469-2016; OI Hivon, Eric/0000-0003-1880-2733; de Gasperis, Giancarlo/0000-0003-2899-2171; Piacentini, Francesco/0000-0002-5444-9327; Masi, Silvia/0000-0001-5105-1439; de Bernardis, Paolo/0000-0001-6547-6446; Ricciardi, Sara/0000-0002-3807-4043; ROMEO, Giovanni/0000-0002-5535-7803; Polenta, Gianluca/0000-0003-4067-9196; Nati, Federico/0000-0002-8307-5088; Santini, Paola/0000-0002-9334-8705 NR 131 TC 82 Z9 83 U1 0 U2 3 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 0004-6361 EI 1432-0746 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD NOV PY 2006 VL 458 IS 3 BP 687 EP 716 DI 10.1051/0004-6361:20053891 PG 30 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 096FT UT WOS:000241363700002 ER PT J AU Rettura, A Rosati, P Strazzullo, V Dickinson, M Fosbury, RAE Rocca-Volmerange, B Cimatti, A Alighieri, SDS Kuntschner, H Lanzoni, B Nonino, M Popesso, P Stern, D Eisenhardt, PR Lidman, C Stanford, SA AF Rettura, A. Rosati, P. Strazzullo, V. Dickinson, M. Fosbury, R. A. E. Rocca-Volmerange, B. Cimatti, A. Alighieri, S. di Serego Kuntschner, H. Lanzoni, B. Nonino, M. Popesso, P. Stern, D. Eisenhardt, P. R. Lidman, C. Stanford, S. A. TI Comparing dynamical and photometric-stellar masses of early-type galaxies at z similar to 1 SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE galaxies : clusters : individual : RDCS J1252-2927; galaxies : evolution; galaxies : formation; galaxies : elliptical and lenticular; cD; Galaxy : kinematics and dynamics; cosmology : observations ID TO-LIGHT RATIO; EVOLUTIONARY POPULATION SYNTHESIS; INFRARED CLUSTER SURVEY; HUBBLE DEEP FIELD; ELLIPTIC GALAXIES; FUNDAMENTAL PLANE; STAR-FORMATION; DARK-MATTER; QUANTITATIVE MORPHOLOGY; REDSHIFT GALAXIES AB Aims. The purpose of this study is to explore the relationship between galaxy stellar masses, based on multiwavelength photometry spectral template fitting and dynamical masses based on published velocity dispersion measurements, for a sample of 48 early-type galaxies at z similar to 1 with HST/ACS morphological information. Methods. We determine photometric-stellar masses and perform a quantitative morphological analysis of cluster and field galaxies at redshift 0.6 < z < 1.2, using ground- and space-based multiwavelength data available on the GOODS-S field and on the field around the X-ray luminous cluster RDCS1252.9-2927 at z = 1.24. We use multi-band photometry over 0.4-8 mu m from HST/ACS, VLT/ISAAC and Spitzer/IRAC to estimate photometric-stellar masses using Composite Stellar Population ( CSP) templates computed with PEGASE. 2 ( Fioc & Rocca-Volmerange 1997) models. We compare stellar masses with those obtained using CSPs built with Bruzual & Charlot ( 2003, MNRAS, 344, 1000; BC03) and Maraston ( 2005, MNRAS, 362, 799; M05) models. We then compare photometric-stellar mass and dynamical mass estimates as a function of morphological parameters obtained from HST/ACS imaging. Results. Based on our sample, which spans the mass range log M-phot similar or equal to [ 10, 11.5], we find that 1) PEGASE. 2, BC03, M05 yield consistent photometric-stellar masses for early-type galaxies at z similar to 1 with a small scatter ( 0.15 dex rms); 2) adopting a Kroupa IMF, photometric-stellar masses match dynamical mass estimates for early-type galaxies with an average offset of 0.27 dex; 3) assuming a constant IMF, increasing dark matter fraction with the increasing galaxy mass can explain the observed trend; 4) we observe that early- type galaxies with significant disk components ( Sa/Sab) or with signs of dynamical interaction tend to have the largest deviation from a one-to-one M-dyn vs. M-phot relation. C1 European So Observ, D-85748 Garching, Germany. Univ Paris 11, F-91405 Orsay, France. Univ Paris 06, CNRS, UMR7095, Inst Astrophys, F-75014 Paris, France. Natl Opt Astron Observ, Tucson, AZ 85726 USA. ECF, ST, D-85748 Garching, Germany. Univ Naples Federico II, Dipartimento Sci Fis, I-80126 Naples, Italy. Osserv Astrofis Arcetri, Ist Nazl Astrofis, INAF, I-50125 Florence, Italy. Osservatorio Astron Bologna, Ist Nazl Astrofis, INAF, I-40127 Bologna, Italy. Osserv Astron Trieste, Ist Nazl Astrofis, INAF, I-34131 Trieste, Italy. CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. European So Observ, Santiago 19, Chile. Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94551 USA. RP Rettura, A (reprint author), Johns Hopkins Univ, Dept Phys & Astron, 3400 N Charles St, Baltimore, MD 21218 USA. EM arettura@eso.org RI di Serego Alighieri, Sperello/E-4067-2010; OI di Serego Alighieri, Sperello/0000-0001-8769-2692; Fosbury, Robert/0000-0001-9975-8003; Nonino, Mario/0000-0001-6342-9662; Kuntschner, Harald/0000-0002-2768-1198 NR 88 TC 46 Z9 46 U1 0 U2 1 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 0004-6361 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD NOV PY 2006 VL 458 IS 3 BP 717 EP 726 DI 10.1051/0004-6361:20065273 PG 10 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 096FT UT WOS:000241363700003 ER PT J AU Achterberg, A Ackermann, M Adams, J Ahrens, J Atlee, DW Bahcall, JN Bai, X Baret, B Bartelt, M Barwick, SW Bay, R Beattie, K Becka, T Becker, JK Becker, KH Berghaus, P Berley, D Bernardini, E Bertrand, D Besson, DZ Blaufuss, E Boersma, DJ Bohm, C Boser, S Botner, O Bouchta, A Braun, J Burgess, C Burgess, T Castermans, T Chirkin, D Clem, J Collin, B Conrad, J Cooley, J Cowen, DF D'Agostino, MV Davour, A Day, CT De Clercq, C Desiati, P DeYoung, T Dreyer, J Duvoort, MR Edwards, WR Ehrlich, R Ellsworth, RW Evenson, PA Fazely, AR Feser, T Filimonov, K Gaisser, TK Gallagher, J Ganugapati, R Geenen, H Gerhardt, L Goldschmidt, A Goodman, JA Greene, MG Grullon, S Gross, A Gunasingha, RM Hallgren, A Halzen, F Han, K Hanson, K Hardtke, D Hardtke, R Harenberg, T Hart, JE Hauschildt, T Hays, D Heise, J Helbing, K Hellwig, M Herquet, P Hill, GC Hodges, J Hoffman, KD Hoshina, K Hubert, D Hughey, B Hulth, PO Hultqvist, K Hundertmark, S Ishihara, A Jacobsen, J Japaridze, GS Jones, A Joseph, JM Kampert, KH Karle, A Kawai, H Kelley, JL Kestel, M Kitamura, N Klein, SR Klepser, S Kohnen, G Kolanoski, H Kopke, L Krasberg, M Kuehn, K Landsman, H Lang, R Leich, H Leuthold, M Liubarsky, I Lundberg, J Madsen, J Mase, K Matis, HS McCauley, T McParland, CP Meli, A Messarius, T Meszaros, P Minor, RH Miocinovic, P Miyamoto, H Mokhtarani, A Montaruli, T Morey, A Morse, R Movit, SM Munich, K Nahnhauer, R Nam, JW Niessen, P Nygren, DR Ogelman, H Olbrechts, P Olivas, A Patton, S Pena-Garay, C de los Heros, CP Pieloth, D Pohl, AC Porrata, R Pretz, J Price, PB Przybylski, GT Rawlins, K Razzaque, S Refflinghaus, F Resconi, E Rhode, W Ribordy, M Richter, S Rizzo, A Robbins, S Rott, C Rutledge, D Sander, HG Schlenstedt, S Schneider, D Seckel, D Seo, SH Seunarine, S Silvestri, A Smith, AJ Solarz, M Song, C Sopher, JE Spiczak, GM Spiering, C Stamatikos, M Stanev, T Steffen, P Steele, D Stezelberger, T Stokstad, RG Stoufer, MC Stoyanov, S Sulanke, KH Sullivan, GW Sumner, TJ Taboada, I Tarasova, O Tepe, A Thollander, L Tilav, S Toale, PA Turcan, D van Eijndhoven, N Vandenbroucke, J Voigt, B Wagner, W Walck, C Waldmann, H Walter, M Wang, YR Wendt, C Wiebusch, CH Wikstroem, G Williams, DR Wischnewski, R Wissing, H Woschnagg, K Xu, XW Yodh, G Yoshida, S Zornoza, JD Biermann, PL AF Achterberg, A. Ackermann, M. Adams, J. Ahrens, J. Atlee, D. W. Bahcall, J. N. Bai, X. Baret, B. Bartelt, M. Barwick, S. W. Bay, R. Beattie, K. Becka, T. Becker, J. K. Becker, K. -H. Berghaus, P. Berley, D. Bernardini, E. Bertrand, D. Besson, D. Z. Blaufuss, E. Boersma, D. J. Bohm, C. Boeser, S. Botner, O. Bouchta, A. Braun, J. Burgess, C. Burgess, T. Castermans, T. Chirkin, D. Clem, J. Collin, B. Conrad, J. Cooley, J. Cowen, D. F. D'Agostino, M. V. Davour, A. Day, C. T. De Clercq, C. Desiati, P. DeYoung, T. Dreyer, J. Duvoort, M. R. Edwards, W. R. Ehrlich, R. Ellsworth, R. W. Evenson, P. A. Fazely, A. R. Feser, T. Filimonov, K. Gaisser, T. K. Gallagher, J. Ganugapati, R. Geenen, H. Gerhardt, L. Goldschmidt, A. Goodman, J. A. Greene, M. G. Grullon, S. Gross, A. Gunasingha, R. M. Hallgren, A. Halzen, F. Han, K. Hanson, K. Hardtke, D. Hardtke, R. Harenberg, T. Hart, J. E. Hauschildt, T. Hays, D. Heise, J. Helbing, K. Hellwig, M. Herquet, P. Hill, G. C. Hodges, J. Hoffman, K. D. Hoshina, K. Hubert, D. Hughey, B. Hulth, P. O. Hultqvist, K. Hundertmark, S. Ishihara, A. Jacobsen, J. Japaridze, G. S. Jones, A. Joseph, J. M. Kampert, K. -H. Karle, A. Kawai, H. Kelley, J. L. Kestel, M. Kitamura, N. Klein, S. R. Klepser, S. Kohnen, G. Kolanoski, H. Koepke, L. Krasberg, M. Kuehn, K. Landsman, H. Lang, R. Leich, H. Leuthold, M. Liubarsky, I. Lundberg, J. Madsen, J. Mase, K. Matis, H. S. McCauley, T. McParland, C. P. Meli, A. Messarius, T. Meszaros, P. Minor, R. H. Miocinovic, P. Miyamoto, H. Mokhtarani, A. Montaruli, T. Morey, A. Morse, R. Movit, S. M. Muenich, K. Nahnhauer, R. Nam, J. W. Niessen, P. Nygren, D. R. Ogelman, H. Olbrechts, Ph. Olivas, A. Patton, S. Pena-Garay, C. de los Heros, C. Perez Pieloth, D. Pohl, A. C. Porrata, R. Pretz, J. Price, P. B. Przybylski, G. T. Rawlins, K. Razzaque, S. Refflinghaus, F. Resconi, E. Rhode, W. Ribordy, M. Richter, S. Rizzo, A. Robbins, S. Rott, C. Rutledge, D. Sander, H. -G. Schlenstedt, S. Schneider, D. Seckel, D. Seo, S. H. Seunarine, S. Silvestri, A. Smith, A. J. Solarz, M. Song, C. Sopher, J. E. Spiczak, G. M. Spiering, C. Stamatikos, M. Stanev, T. Steffen, P. Steele, D. Stezelberger, T. Stokstad, R. G. Stoufer, M. C. Stoyanov, S. Sulanke, K. -H. Sullivan, G. W. Sumner, T. J. Taboada, I. Tarasova, O. Tepe, A. Thollander, L. Tilav, S. Toale, P. A. Turcan, D. van Eijndhoven, N. Vandenbroucke, J. Voigt, B. Wagner, W. Walck, C. Waldmann, H. Walter, M. Wang, Y. -R. Wendt, C. Wiebusch, C. H. Wikstroem, G. Williams, D. R. Wischnewski, R. Wissing, H. Woschnagg, K. Xu, X. W. Yodh, G. Yoshida, S. Zornoza, J. D. Biermann, P. L. TI On the selection of AGN neutrino source candidates for a source stacking analysis with neutrino telescopes SO ASTROPARTICLE PHYSICS LA English DT Article DE neutrinos; AGN; source stacking; point sources; AMANDA; IceCube ID ACTIVE GALACTIC NUCLEI; SPECTRUM RADIO-SOURCES; COMPACT STEEP-SPECTRUM; HIGH-ENERGY NEUTRINOS; JET-DISK SYMBIOSIS; COSMIC-RAYS; SEYFERT-GALAXIES; UNIFIED SCHEMES; SOURCE CATALOG; SHOCK FRONTS AB The sensitivity of a search for sources of TeV neutrinos can be improved by grouping potential sources together into generic classes in a procedure that is known as source stacking. In this paper, we define catalogs of Active Galactic Nuclei (AGN) and use them to perform a source stacking analysis. The grouping of AGN into classes is done in two steps: first, AGN classes are defined, then, sources to be stacked are selected assuming that a potential neutrino flux is linearly correlated with the photon luminosity in a certain energy band (radio, IR, optical, keV, GeV, TeV). Lacking any secure detailed knowledge on neutrino production in AGN, this correlation is motivated by hadronic AGN models, as briefly reviewed in this paper. The source stacking search for neutrinos from generic AGN classes is illustrated using the data collected by the AMANDA-II highenergy neutrino detector during the year 2000. No significant excess for any of the suggested groups was found. (c) 2006 Elsevier B.V. All rights reserved. C1 Univ Dortmund, Dept Phys, D-44221 Dortmund, Germany. Clark Atlanta Univ, CTSPS, Atlanta, GA 30314 USA. Southern Univ, Dept Phys, Baton Rouge, LA 70813 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Free Univ Brussels, Fac Sci, B-1050 Brussels, Belgium. Free Univ Brussels, Dienst ELEM, B-1050 Brussels, Belgium. Chiba Univ, Dept Phys, Chiba 2638522, Japan. Univ Canterbury, Dept Phys & Astron, Christchurch 1, New Zealand. Univ Maryland, Dept Phys, College Pk, MD 20742 USA. Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. Univ Kansas, Dept Phys & Astron, Lawrence, KS 66045 USA. Univ London Imperial Coll Sci Technol & Med, Blackett Lab, London SW7 2BW, England. Univ Wisconsin, Dept Astron, Madison, WI 53706 USA. Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. Univ Mainz, Inst Phys, D-55099 Mainz, Germany. Univ Mons, B-7000 Mons, Belgium. Univ Delaware, Bartol Res Inst, Newark, DE 19716 USA. Inst Adv Study, Princeton, NJ 08540 USA. Univ Wisconsin, Dept Phys, River Falls, WI 54022 USA. Stockholm Univ, Dept Phys, SE-10691 Stockholm, Sweden. Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. Penn State Univ, Dept Phys, University Pk, PA 16802 USA. Univ Uppsala, Div High Energy Phys, S-75121 Uppsala, Sweden. Univ Utrecht, Dept Phys & Astron, SRON, NL-3584 CC Utrecht, Netherlands. Univ Wuppertal, Dept Phys, D-42119 Wuppertal, Germany. DESY, D-15735 Zeuthen, Germany. Max Planck Inst Radioastron, D-53121 Bonn, Germany. Univ Bonn, Dept Phys & Astron, D-5300 Bonn, Germany. Humboldt Univ, Inst Phys, D-12489 Berlin, Germany. Kalmar Univ, Dept Chem & Biomed Sci, S-39182 Kalmar, Sweden. RP Gross, A (reprint author), Univ Dortmund, Dept Phys, D-44221 Dortmund, Germany. EM gross@physik.uni-dortmund.de RI Song, Chihwa/A-3455-2008; Hundertmark, Stephan/A-6592-2010; Wiebusch, Christopher/G-6490-2012; Botner, Olga/A-9110-2013; Hallgren, Allan/A-8963-2013; Tjus, Julia/G-8145-2012; Zornoza, Juan de Dios/L-1604-2014; OI Wiebusch, Christopher/0000-0002-6418-3008; Perez de los Heros, Carlos/0000-0002-2084-5866; Zornoza, Juan de Dios/0000-0002-1834-0690; Rott, Carsten/0000-0002-6958-6033; Hubert, Daan/0000-0002-4365-865X NR 60 TC 15 Z9 15 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-6505 J9 ASTROPART PHYS JI Astropart Phys. PD NOV-DEC PY 2006 VL 26 IS 4-5 BP 282 EP 300 DI 10.1016/j.astropartphys.2006.06.012 PG 19 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 113LH UT WOS:000242598900005 ER PT J AU Hennawi, JF Prochaska, JX Burles, S Strauss, MA Richards, GT Schlegel, DJ Fan, XH Schneider, DP Zakamska, NL Oguri, M Gunn, JE Lupton, RH Brinkmann, J AF Hennawi, Joseph F. Prochaska, Jason X. Burles, Scott Strauss, Michael A. Richards, Gordon T. Schlegel, David J. Fan, Xiaohui Schneider, Donald P. Zakamska, Nadia L. Oguri, Masamune Gunn, James E. Lupton, Robert H. Brinkmann, Jon TI Quasars probing quasars. I. Optically thick absorbers near luminous quasars SO ASTROPHYSICAL JOURNAL LA English DT Article DE cosmology : observations; cosmology : theory; intergalactic medium; quasars : absorption lines; quasars : general; surveys ID DIGITAL-SKY-SURVEY; LY-ALPHA FOREST; LYMAN-BREAK GALAXIES; REDSHIFT INTERGALACTIC MEDIUM; DATA RELEASE; STELLAR OBJECTS; MULTIOBJECT SPECTROGRAPH; INTERMEDIATE-REDSHIFT; QSO; SYSTEMS AB With close pairs of quasars at different redshifts, a background quasar sight line can be used to study a foreground quasar's environment in absorption. We search 149 moderate-resolution background quasar spectra from Gemini, Keck, the MMT, and the SDSS to survey Lyman limit systems (LLSs) and damped Ly alpha systems (DLAs) in the vicinity of 1: 8 < z < 4.0 luminous foreground quasars. A sample of 27 new quasar- absorber pairs is uncovered with column densities 10(17.2) cm(-2) < N-HI < 10(20.9) cm(-2) and transverse (proper) distances of 22 h(-1) kpc < R < 1.7 h(-1) Mpc from the foreground quasars. If they emit isotropically, the implied ionizing photon fluxes are a factor of similar to 5-8000 times larger than the ambient extragalactic UV background over this range of distances. The observed probability of intercepting an absorber is very high for small separations: six out of eight projected sight lines with transverse separations R < 150 h(-1) kpc have an absorber coincident with the foreground quasar, of which four have N-HI > 10(19) cm(-2). The covering factor of N-HI > 10(19) cm(-2) absorbers is thus similar to 50% (4/8) on these small scales, whereas less than or similar to 2% would have been expected at random. There are many cosmological applications of these new sight lines: they provide laboratories for studying fluorescent Ly alpha recombination radiation from LLSs; they constrain the environments, emission geometry, and radiative histories of quasars; and they shed light on the physical nature of LLSs and DLAs. C1 Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. Princeton Univ Observ, Princeton, NJ 08544 USA. Univ Calif Observ, Dept Astron & Astrophys, Lick Observ, Santa Cruz, CA 95064 USA. MIT, Dept Phys, Cambridge, MA 02139 USA. Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. Inst Adv Study, Princeton, NJ 08540 USA. Apache Point Observ, Sunspot, NM 88349 USA. RP Hennawi, JF (reprint author), Univ Calif Berkeley, Dept Astron, 601 Campbell Hall, Berkeley, CA 94720 USA. EM joeh@berkeley.edu; xavier@ucolick.org RI Oguri, Masamune/C-6230-2011 NR 80 TC 75 Z9 76 U1 0 U2 3 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD NOV 1 PY 2006 VL 651 IS 1 BP 61 EP 83 DI 10.1086/507069 PN 1 PG 23 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 102PK UT WOS:000241824300008 ER PT J AU Kasen, D Thomas, RC Nugent, P AF Kasen, Daniel Thomas, R. C. Nugent, P. TI Time-dependent Monte Carlo radiative transfer calculations for three-dimensional supernova spectra, light curves, and polarization SO ASTROPHYSICAL JOURNAL LA English DT Article DE polarization; radiative transfer; supernovae : general ID CORE-COLLAPSE SUPERNOVA; WHITE-DWARF MODELS; IA SUPERNOVA; THOMSON SCATTERING; TRANSITION-PROBABILITIES; CIRCUMSTELLAR ENVELOPES; ENERGY DEPOSITION; EXPLOSION MODELS; SOBOLEV METHOD; SN 1987A AB We discuss Monte Carlo techniques for addressing the three-dimensional time-dependent radiative transfer problem in rapidly expanding supernova atmospheres. The transfer code SEDONA has been developed to calculate the light curves, spectra, and polarization of aspherical supernova models. From the onset of free expansion in the supernova ejecta, SEDONA solves the radiative transfer problem self-consistently, including a detailed treatment of gamma-ray transfer from radioactive decay and with a radiative equilibrium solution of the temperature structure. Line fluorescence processes can also be treated directly. No free parameters need be adjusted in the radiative transfer calculation, providing a direct link between multidimensional hydrodynamic explosion models and observations. We describe the computational techniques applied in SEDONA and verify the code by comparison to existing calculations. We find that convergence of the Monte Carlo method is rapid and stable even for complicated multidimensional configurations. We also investigate the accuracy of a few commonly applied approximations in supernova transfer, namely, the stationarity approximation and the two-level atom expansion opacity formalism. C1 Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. Space Telescope Sci Inst, Baltimore, MD 21218 USA. Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Kasen, D (reprint author), Johns Hopkins Univ, Dept Phys & Astron, 3400 N Charles St, Baltimore, MD 21218 USA. NR 84 TC 104 Z9 104 U1 1 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD NOV 1 PY 2006 VL 651 IS 1 BP 366 EP 380 DI 10.1086/506190 PN 1 PG 15 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 102PK UT WOS:000241824300031 ER PT J AU Howes, GG Cowley, SC Dorland, W Hammett, GW Quataert, E Schekochihin, AA AF Howes, Gregory G. Cowley, Steven C. Dorland, William Hammett, Gregory W. Quataert, Eliot Schekochihin, Alexander A. TI Astrophysical gyrokinetics: Basic equations and linear theory SO ASTROPHYSICAL JOURNAL LA English DT Article DE methods : numerical; MHD; turbulence ID COMPRESSIBLE MAGNETOHYDRODYNAMIC TURBULENCE; GENERAL PLASMA EQUILIBRIA; ALFVENIC TURBULENCE; MAGNETIC-FIELD; SOLAR-WIND; INTERSTELLAR TURBULENCE; HYDROMAGNETIC-WAVES; PARTICLE SIMULATION; DISSIPATION RANGE; MODE TURBULENCE AB Magnetohydrodynamic (MHD) turbulence is encountered in a wide variety of astrophysical plasmas, including accretion disks, the solar wind, and the interstellar and intracluster medium. On small scales, this turbulence is often expected to consist of highly anisotropic fluctuations with frequencies small compared to the ion cyclotron frequency. For a number of applications, the small scales are also collisionless, so a kinetic treatment of the turbulence is necessary. We show that this anisotropic turbulence is well described by a low-frequency expansion of the kinetic theory called gyrokinetics. This paper is the first in a series to examine turbulent astrophysical plasmas in the gyrokinetic limit. We derive and explain the nonlinear gyrokinetic equations and explore the linear properties of gyrokinetics as a prelude to nonlinear simulations. The linear dispersion relation for gyrokinetics is obtained, and its solutions are compared to those of hot-plasma kinetic theory. These results are used to validate the performance of the gyrokinetic simulation code GS2 in the parameter regimes relevant for astrophysical plasmas. New results on global energy conservation in gyrokinetics are also derived. We briefly outline several of the problems to be addressed by future nonlinear simulations, including particle heating by turbulence in hot accretion flows and in the solar wind, the magnetic and electric field power spectra in the solar wind, and the origin of small-scale density fluctuations in the interstellar medium. C1 Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. Univ London Imperial Coll Sci Technol & Med, Blackett Lab, Dept Phys, London SW7 2BW, England. Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. Univ Cambridge, Dept Appl Math & Theoret Phys, Cambridge CB3 0WA, England. RP Howes, GG (reprint author), Univ Calif Berkeley, Dept Astron, 601 Campbell Hall, Berkeley, CA 94720 USA. EM ghowes@astro.berkeley.edu RI Schekochihin, Alexander/C-2399-2009; Hammett, Gregory/D-1365-2011; Dorland, William/B-4403-2009 OI Hammett, Gregory/0000-0003-1495-6647; Dorland, William/0000-0003-2915-724X NR 67 TC 155 Z9 156 U1 0 U2 11 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD NOV 1 PY 2006 VL 651 IS 1 BP 590 EP 614 DI 10.1086/506172 PN 1 PG 25 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 102PK UT WOS:000241824300052 ER PT J AU Berlind, AA Frieman, J Weinberg, DH Blanton, MR Warren, MS Abazajian, K Scranton, R Hogg, DW Scoccimarro, R Bahcall, NA Brinkmann, J Gott, JR Kleinman, SJ Krzesinski, J Lee, BC Miller, CJ Nitta, A Schneider, DP Tucker, DL Zehavi, I AF Berlind, Andreas A. Frieman, Joshua Weinberg, David H. Blanton, Michael R. Warren, Michael S. Abazajian, Kevork Scranton, Ryan Hogg, David W. Scoccimarro, Roman Bahcall, Neta A. Brinkmann, J. Gott, J. Richard, III Kleinman, S. J. Krzesinski, J. Lee, Brian C. Miller, Christopher J. Nitta, Atsuko Schneider, Donald P. Tucker, Douglas L. Zehavi, Idit CA SDSS Collaboration TI Percolation galaxy groups and clusters in the SDSS redshift survey: Identification, catalogs, and the multiplicity function SO ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES LA English DT Article DE galaxies : clusters : general; large-scale structure of universe ID DIGITAL SKY SURVEY; HALO OCCUPATION DISTRIBUTION; LARGE-SCALE STRUCTURE; COLD DARK-MATTER; DATA RELEASE; VELOCITY DISPERSION; LUMINOSITY FUNCTION; COMMISSIONING DATA; NEARBY GROUPS; CFA SURVEY AB We identify galaxy groups and clusters in volume-limited samples of the Sloan Digital Sky Survey (SDSS) redshift survey, using a redshift-space friends-of-friends algorithm. We optimize the friends-of-friends linking lengths to recover galaxy systems that occupy the same dark matter halos, using a set of mock catalogs created by populating halos of N-body simulations with galaxies. Extensive tests with these mock catalogs show that no combination of perpendicular and line-of-sight linking lengths is able to yield groups and clusters that simultaneously recover the true halo multiplicity function, projected size distribution, and velocity dispersion. We adopt a linking length combination that yields, for galaxy groups with 10 or more members: a group multiplicity function that is unbiased with respect to the true halo multiplicity function; an unbiased median relation between the multiplicities of groups and their associated halos; a spurious group fraction of less than similar to 1%; a halo completeness of more than similar to 97%; the correct projected size distribution as a function of multiplicity; and a velocity dispersion distribution that is similar to 20% too low at all multiplicities. These results hold over a range of mock catalogs that use different input recipes of populating halos with galaxies. We apply our group-finding algorithm to the SDSS data and obtain three group and cluster catalogs for three volume-limited samples that cover 3495.1 deg(2) on the sky, go out to redshifts of 0.1, 0.068, and 0.045, and contain 57,138, 37,820, and 18,895 galaxies, respectively. We correct for incompleteness caused by fiber collisions and survey edges and obtain measurements of the group multiplicity function, with errors calculated from realistic mock catalogs. These multiplicity function measurements provide a key constraint on the relation between galaxy populations and dark matter halos. C1 NYU, Ctr Cosmol & Particle Phys, New York, NY 10003 USA. Univ Chicago, Ctr Cosmol Phys, Chicago, IL 60637 USA. Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. Subaru Telescope, Hilo, HI 96720 USA. Apache Point Observ, Sunspot, NM 88349 USA. Cracow Pedagog Univ, Mt Suhora Observ, PL-30084 Krakow, Poland. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Natl Opt Astron Observ, Cerro Tololo Interamer Observ, La Serena, Chile. Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. Case Western Reserve Univ, Dept Astron, Cleveland, OH 44106 USA. RP Berlind, AA (reprint author), NYU, Ctr Cosmol & Particle Phys, New York, NY 10003 USA. EM aberlind@cosmo.nyu.edu; frieman@fnal.gov; dhw@astronomy.ohio-state.edu OI Warren, Michael/0000-0002-1218-7904; Hogg, David/0000-0003-2866-9403; Tucker, Douglas/0000-0001-7211-5729 NR 72 TC 206 Z9 208 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0067-0049 J9 ASTROPHYS J SUPPL S JI Astrophys. J. Suppl. Ser. PD NOV PY 2006 VL 167 IS 1 BP 1 EP 25 DI 10.1086/508170 PG 25 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 108AB UT WOS:000242211000001 ER PT J AU Eisenstein, DJ Liebert, J Harris, HC Kleinman, SJ Nitta, A Silvestri, N Anderson, SA Barentine, JC Brewington, HJ Brinkmann, J Harvanek, M Krzesinski, J Neilsen, EH Long, D Schneider, DP Snedden, SA AF Eisenstein, Daniel J. Liebert, James Harris, Hugh C. Kleinman, S. J. Nitta, Atsuko Silvestri, Nicole Anderson, Scott A. Barentine, J. C. Brewington, Howard J. Brinkmann, J. Harvanek, Michael Krzesinski, Jurek Neilsen, Eric H., Jr. Long, Dan Schneider, Donald P. Snedden, Stephanie A. TI A catalog of spectroscopically confirmed white dwarfs from the Sloan Digital Sky Survey Data Release 4 SO ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES LA English DT Article DE catalogs; subdwarfs; white dwarfs ID DIGITAL-SKY-SURVEY; 1ST DATA RELEASE; CATACLYSMIC VARIABLES; MASS-DISTRIBUTION; TARGET SELECTION; GALAXY SAMPLE; MILKY-WAY; STARS; HELIUM; COOL AB We present a catalog of 9316 spectroscopically confirmed white dwarfs from the Sloan Digital Sky Survey Data Release 4. We have selected the stars through photometric cuts and spectroscopic modeling, backed up by a set of visual inspections. About 6000 of the stars are new discoveries, roughly doubling the number of spectroscopically confirmed white dwarfs. We analyze the stars by performing temperature and surface gravity fits to grids of pure hydrogen and helium atmospheres. Among the rare outliers are a set of presumed helium-core DA white dwarfs with estimated masses below 0.3 M-., including two candidates that may be the lowest-mass yet found. We also present a list of 928 hot subdwarfs. C1 Univ Arizona, Steward Observ, Tucson, AZ 85121 USA. US Naval Observ, Flagstaff Stn, Flagstaff, AZ 86002 USA. Apache Point Observ, Sunspot, NM 88349 USA. Subaru Telescope, Hilo, HI 96720 USA. Univ Washington, Dept Astron, Seattle, WA 98195 USA. Akad Pedagogiczna Krakowie, Obserwatorium Astron Suhorze, PL-30084 Krakow, Poland. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Penn State Univ, Dept Astron & Astrophys, Davey Lab 525, University Pk, PA 16802 USA. RP Eisenstein, DJ (reprint author), Univ Arizona, Steward Observ, 933 N Cherry Ave, Tucson, AZ 85121 USA. NR 73 TC 281 Z9 281 U1 1 U2 2 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0067-0049 J9 ASTROPHYS J SUPPL S JI Astrophys. J. Suppl. Ser. PD NOV PY 2006 VL 167 IS 1 BP 40 EP 58 DI 10.1086/507110 PG 19 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 108AB UT WOS:000242211000003 ER PT J AU Singer, BC Coleman, BK Destaillats, H Hodgson, AT Lunden, MM Weschler, CJ Nazaroff, WW AF Singer, Brett C. Coleman, Beverly K. Destaillats, Hugo Hodgson, Alfred T. Lunden, Melissa M. Weschler, Charles J. Nazaroff, William W. TI Indoor secondary pollutants from cleaning product and air freshener use in the presence of ozone SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE air quality; formaldehyde; indoor air chemistry; secondary organic aerosol; terpenes ID GAS-PHASE CHEMISTRY; ENVIRONMENTAL CHAMBER; ORGANIC-COMPOUNDS; RATE CONSTANTS; SCALE CHAMBER; EMISSIONS; EXPOSURE; PARTICLES; OZONOLYSIS; MIXTURES AB This study investigated the formation of secondary pollutants resulting from household product use in the presence of ozone. Experiments were conducted in a 50-m(3) chamber simulating a residential room. The chamber was operated at conditions relevant to US residences in polluted areas during warm-weather seasons: an air exchange rate of 1.0 h(-1) and an inlet ozone concentration of approximately 120 ppb, when included. Three products were used in separate experiments. An orange oil-based degreaser and a pine oil-based general-purpose cleaner were used for surface cleaning applications. A plug-in scented-oil air freshener (AFR) was operated for several days. Cleaning products were applied realistically with quantities scaled to simulate residential use rates. Concentrations of organic gases and secondary organic aerosol from the terpene-containing consumer products were measured with and without ozone introduction. In the absence of reactive chemicals, the chamber ozone level was approximately 60 ppb. Ozone was substantially consumed following cleaning product use, mainly by homogeneous reaction. For the AFR, ozone consumption was weaker and heterogeneous reaction with sorbed AFR-constituent VOCs was of similar magnitude to homogeneous reaction with continuously emitted constituents. Formaldehyde generation resulted from product use with ozone present, increasing indoor levels by the order of 10 ppb. Cleaning product use in the presence of ozone generated substantial fine particle concentrations (more than 100 mu g m(-3)) in some experiments. Ozone consumption and elevated hydroxyl radical concentrations persisted for 10-12 h following brief cleaning events, indicating that secondary pollutant production can persist for extended periods. (c) 2006 Elsevier Ltd. All rights reserved. C1 Lawrence Berkeley Lab, Dept Atmospher Sci, Environm Energy Technol Div, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Indoor Environm Dept, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Indoor Environm Dept, Environm Energy Technol Div, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. Univ Med & Dent New Jersey, Environm & Occupat Hlth Sci Inst, Piscataway, NJ 08854 USA. Rutgers State Univ, Piscataway, NJ 08854 USA. Tech Univ Denmark, Int Ctr Indoor Environm & Energy, DK-2800 Lyngby, Denmark. RP Singer, BC (reprint author), Lawrence Berkeley Lab, Dept Atmospher Sci, Environm Energy Technol Div, Berkeley, CA 94720 USA. EM BCSinger@lbl.gov RI Nazaroff, William/C-4106-2008; Destaillats, Hugo/B-7936-2013; Weschler, Charles/A-9788-2009 OI Nazaroff, William/0000-0001-5645-3357; Weschler, Charles/0000-0002-9097-5850 NR 47 TC 147 Z9 148 U1 5 U2 55 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 J9 ATMOS ENVIRON JI Atmos. Environ. PD NOV PY 2006 VL 40 IS 35 BP 6696 EP 6710 DI 10.1016/j.atmosenv.2006.06.005 PG 15 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 099PH UT WOS:000241607000002 ER PT J AU Grell, L Parkin, C Slatest, L Craig, PA AF Grell, Laura Parkin, Christopher Slatest, Len Craig, Paul A. TI Viz, a tool for simplifying molecular viewing in PyMOL SO BIOCHEMISTRY AND MOLECULAR BIOLOGY EDUCATION LA English DT Article AB PyMOL is a molecular modeling program that can be used in a wide range of studies within the scientific community. Its ability to produce informative, detailed, stereoscopic images makes it a very powerful tool both in the laboratory and in the classroom. However, the PyMOL user interface is difficult to use, and the PyMOL User's Manual readily admits that "development has been focused on capabilities, not on ease-of-use for new users." To resolve this, we set out to develop a new interface for PyMOL that helps eliminate the need for command line interactions, making it a much more user-friendly interface. We have created a tabbed interface called EZ-Viz, which contains a series of buttons and entry fields that allow users to select given attributes of a molecule and make changes to it by clicking a button as opposed to issuing highly syntactical commands. Other features of the interface include a Chime/PyMOL command converter, nine preset molecular views, four molecular movies, and molecular sequence and hetero atom information, all at the click of a button. The ongoing and continued development of EZ-Viz could help to further the use of PyMOL, which we believe to be one of the most powerful molecular viewing programs currently available. C1 Rochester Inst Technol, Dept Chem, Rochester, NY 14623 USA. Brookhaven Natl Lab, Computat Sci Ctr, Upton, NY 11973 USA. RP Craig, PA (reprint author), Rochester Inst Technol, Dept Chem, 85 Lomb Mem Dr, Rochester, NY 14623 USA. EM pac8612@rit.edu NR 6 TC 17 Z9 17 U1 1 U2 8 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 1470-8175 J9 BIOCHEM MOL BIOL EDU JI Biochem. Mol. Biol. Educ. PD NOV-DEC PY 2006 VL 34 IS 6 BP 402 EP 407 DI 10.1002/bmb.2006.494034062672 PG 6 WC Biochemistry & Molecular Biology; Education, Scientific Disciplines SC Biochemistry & Molecular Biology; Education & Educational Research GA 110TF UT WOS:000242402600002 PM 21638731 ER PT J AU Peng, J Dong, W Chen, Y Mo, R Cheng, JF Hui, CC Mohandas, N Huang, CH AF Peng, Jianbin Dong, Wenji Chen, Ying Mo, Rong Cheng, Jan-Fang Hui, Chi-chung Mohandas, Narla Huang, Cheng-Han TI Dusty protein kinases: Primary structure, gene evolution, tissue specific expression and unique features of the catalytic domain SO BIOCHIMICA ET BIOPHYSICA ACTA-GENE STRUCTURE AND EXPRESSION LA English DT Article DE dusty protein kinase; tissue specificity; protein structure; gene evolution; vertebrate animal; human cancer ID CELL-DEATH; PHOSPHATASES; RIP; AUTOPHOSPHORYLATION; PHOSPHORYLATION; LIKELIHOOD; SEQUENCES; MOTIFS; GENOME; MODEL AB Ser/Thr- and Tyr-Protein kinases constitute a key switch underlying the dynamic nature and graded regulation of signal transduction and pathway activities in cellular organization. Here we describe the identification and characterization of Dusty, a single-copy gene that arose in metazoan evolution and encodes a putative dual Ser/Thr and Tyr protein kinase with unique structural features. Dusty is widely expressed in vertebrates, broadly distributed in the central nervous system, and deregulated in certain human cancers. Confocal imaging of transiently expressed human Dusty-GFP fusion proteins showed a cytoplasmic distribution. Dusty proteins from lower to higher species display an increasing degree of sequence conservation from the N-terminal non-catalytic domain to C-terminal catalytic domain. The non-catalytic region has eight conserved cysteine residues, multiple potential kinase-docking motifs and phosphorylation sites, whereas the catalytic domain is divergent and about equally distant of Ser/Thr and Tyr protein kinases. Homology analyses identified the essential catalytic residues, suggesting that Dusty homologues all possess the enzymatic activity of a protein kinase. Taken together, Dusty is a unique evolutionarily selected group of divergent protein kinases that may play important functional roles in the brain and other tissues of vertebrates. (c) 2006 Elsevier B.V. All rights reserved. C1 Lindsley F Kimball Res Inst, New York Blood Ctr, Biochem & Mol Genet Lab, New York, NY 10021 USA. Univ Toronto, Program Dev Biol, Hosp Sick Children, Toronto, ON M5G 1X8, Canada. Univ Toronto, Dept Mol & Med Genet, Hosp Sick Children, Toronto, ON M5G 1X8, Canada. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. Lindsley F Kimball Res Inst, New York Blood Ctr, Lab Red Cell Physiol, New York, NY 10021 USA. RP Huang, CH (reprint author), Lindsley F Kimball Res Inst, New York Blood Ctr, Biochem & Mol Genet Lab, 310 E,67th St, New York, NY 10021 USA. EM chuang@nybloodcenter.org FU NIDDK NIH HHS [R01 DK062704-04, R01 DK62704] NR 39 TC 4 Z9 20 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-4781 J9 BBA-GENE STRUCT EXPR JI Biochim. Biophys. Acta-Gene Struct. Expression PD NOV-DEC PY 2006 VL 1759 IS 11-12 BP 562 EP 572 DI 10.1016/j.bbaexp.2006.10.004 PG 11 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 132RH UT WOS:000243959400007 PM 17123648 ER PT J AU Wang, CL Ding, C Meraz, RF Holbrook, SR AF Wang, Chunlin Ding, Chris Meraz, Richard F. Holbrook, Stephen R. TI PSoL: a positive sample only learning algorithm for finding non-coding RNA genes SO BIOINFORMATICS LA English DT Article ID ESCHERICHIA-COLI; ANTISENSE RNA; BACTERIA; IDENTIFICATION; PREDICTION; GENOME AB Motivation: Small non-coding RNA (ncRNA) genes play important regulatory roles in a variety of cellular processes. However, detection of ncRNA genes is a great challenge to both experimental and computational approaches. In this study, we describe a new approach called positive sample only learning (PSoL) to predict ncRNA genes in the Escherichia coli genome. Although PSoL is a machine learning method for classification, it requires no negative training data, which, in general, is hard to define properly and affects the performance of machine learning dramatically. In addition, using the support vector machine (SVM) as the core learning algorithm, PSoL can integrate many different kinds of information to improve the accuracy of prediction. Besides the application of PSoL for predicting ncRNAs, PSoL is applicable to many other bioinformatics problems as well. Results: The PSoL method is assessed by 5-fold cross-validation experiments which show that PSoL can achieve about 80% accuracy in recovery of known ncRNAs. We compared PSoL predictions with five previously published results. The PSoL method has the highest percentage of predictions overlapping with those from other methods. C1 Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. RP Holbrook, SR (reprint author), Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. EM srholbrook@lbl.gov FU PHS HHS [5R01H6002665-02] NR 32 TC 44 Z9 54 U1 1 U2 2 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1367-4803 J9 BIOINFORMATICS JI Bioinformatics PD NOV 1 PY 2006 VL 22 IS 21 BP 2590 EP 2596 DI 10.1093/bioinformatics/btl441 PG 7 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Computer Science, Interdisciplinary Applications; Mathematical & Computational Biology; Statistics & Probability SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Computer Science; Mathematical & Computational Biology; Mathematics GA 099XC UT WOS:000241629600003 PM 16945945 ER PT J AU Radde, N Gebert, J Forst, CV AF Radde, Nicole Gebert, Jutta Forst, Christian V. TI Systematic component selection for gene-network refinement SO BIOINFORMATICS LA English DT Article ID MYCOBACTERIUM-TUBERCULOSIS; DNA-REPAIR; EXPRESSION; MECHANISMS; INFERENCE; DRUG AB Motivation: A quantitative description of interactions between cell components is a major challenge in Computational Biology. As a method of choice, differential equations are used for this purpose, because they provide a detailed insight into the dynamic behavior of the system. In most cases, the number of time points of experimental time series is usually too small to estimate the parameters of a model of a whole gene regulatory network based on differential equations, such that one needs to focus on subnetworks consisting of only a few components. For most approaches, the set of components of the subsystem is given in advance and only the structure has to be estimated. However, the set of components that influence the system significantly are not always known in advance, making a method desirable that determines both, the components that are included into the model and the parameters. Results: We have developed a method that uses gene expression data as well as interaction data between cell components to define a set of genes that we use for our modeling. In a subsequent step, we estimate the parameters of our model of piecewise linear differential equations and evaluate the results simulating the behavior of the system with our model. We have applied our method to the DNA repair system of Mycobacterium tuberculosis. Our analysis predicts that the gene Rv2719c plays an important role in this system. C1 Univ Cologne, Ctr App Comp Sci, D-50931 Cologne, Germany. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Radde, N (reprint author), Univ Cologne, Ctr App Comp Sci, Weyertal 80, D-50931 Cologne, Germany. EM radde@zpr.uni-koeln.de; gebert@zpr.uni-koeln.de; chris@lanl.gov NR 21 TC 10 Z9 13 U1 0 U2 1 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1367-4803 J9 BIOINFORMATICS JI Bioinformatics PD NOV 1 PY 2006 VL 22 IS 21 BP 2674 EP 2680 DI 10.1093/bioinformatics/btl440 PG 7 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Computer Science, Interdisciplinary Applications; Mathematical & Computational Biology; Statistics & Probability SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Computer Science; Mathematical & Computational Biology; Mathematics GA 099XC UT WOS:000241629600014 PM 16926218 ER PT J AU Taylor, RC Shah, A Treatman, C Blevins, M AF Taylor, Ronald C. Shah, Anuj Treatman, Charles Blevins, Meridith TI SEBINI: Software Environment for BIological Network Inference SO BIOINFORMATICS LA English DT Article AB The Software Environment for BIological Network Inference (SEBINI) has been created to provide an interactive environment for the deployment and evaluation of algorithms used to reconstruct the structure of biological regulatory and interaction networks. SEBINI can be used to compare and train network inference methods on artificial networks and simulated gene expression perturbation data. It also allows the analysis within the same framework of experimental high-throughput expression data using the suite of (trained) inference methods; hence SEBINI should be useful to software developers wishing to evaluate, compare, refine or combine inference techniques, and to bioinformaticians analyzing experimental data. SEBINI provides a platform that aids in more accurate reconstruction of biological networks, with less effort, in less time. C1 Pacific NW Natl Lab, Computat Biol & Bioinformat Grp, Richland, WA 99352 USA. Oberlin Coll, Oberlin, OH 44074 USA. Case Western Reserve Univ, Cleveland, OH 44106 USA. RP Taylor, RC (reprint author), Pacific NW Natl Lab, Computat Biol & Bioinformat Grp, Richland, WA 99352 USA. EM ronald.taylor@pnl.gov OI Blevins, Meridith/0000-0002-3861-9859; Taylor, Ronald/0000-0001-9777-9767 NR 12 TC 12 Z9 13 U1 0 U2 1 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1367-4803 J9 BIOINFORMATICS JI Bioinformatics PD NOV 1 PY 2006 VL 22 IS 21 BP 2706 EP 2708 DI 10.1093/bioinformatics/btl444 PG 3 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Computer Science, Interdisciplinary Applications; Mathematical & Computational Biology; Statistics & Probability SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Computer Science; Mathematical & Computational Biology; Mathematics GA 099XC UT WOS:000241629600024 PM 16954144 ER PT J AU Todd, BD Rothermel, BB AF Todd, Brian D. Rothermel, Betsie B. TI Assessing quality of clearcut habitats for amphibians: Effects on abundances versus vital rates in the southern toad (Bufo terrestris) SO BIOLOGICAL CONSERVATION LA English DT Article DE amphibians; demographic rates; forest management; population monitoring; survival ID DETECTION PROBABILITY PARAMETERS; POND-BREEDING AMPHIBIANS; CAPTURE-RECAPTURE DESIGN; AMBYSTOMA-TALPOIDEUM; MOLE SALAMANDERS; FIELD ENCLOSURES; LARVAL DENSITY; FOREST; DECLINES; SIZE AB Forest clearcutting is a form of habitat alteration that drastically alters the landscape and may contribute to declines in amphibian populations. indeed, many studies have documented decreases in amphibian abundances and species richness in clearcuts. The development of effective conservation strategies to reduce the effects of timber harvesting has been hindered by lack of knowledge of the mechanisms underlying these changes in abundance. To better understand the potentially negative consequences of forest clearcutting, we used field enclosures in forested and clearcut habitats to examine changes in the survival and growth of juvenile southern toads (Bufo terrestris) over a two-month period. We also conducted a comparative monitoring study using drift fences and pitfall traps in forests and clearcuts to determine the effect of clearcutting on the abundance of juvenile southern toads. We found no significant effect of habitat on the number of juvenile southern toads captured in forests or clearcuts. In contrast, the average survival of toads in clearcut enclosures was significantly reduced compared to that of toads in forested enclosures (17 +/- 5% versus 61 +/- 3%). Toads surviving in clearcuts were also significantly smaller than those surviving in forested enclosures (27.9 +/- 0.1 mm versus 30.3 +/- 0.8 mm SVL). Our results highlight the difficulty in interpreting abundance patterns as a sole metric for habitat comparison. Because there is much interest in studying the effects of habitat alteration on amphibian populations, we recommend that future studies place more emphasis on determining changes in vital rates of populations following habitat alteration. Published by Elsevier Ltd. C1 Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. RP Todd, BD (reprint author), Univ Georgia, Savannah River Ecol Lab, Drawer E, Aiken, SC 29802 USA. EM todd@srel.edu; rothermel@srel.edu RI Rothermel, Betsie/L-6774-2013 NR 47 TC 58 Z9 61 U1 3 U2 21 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0006-3207 EI 1873-2917 J9 BIOL CONSERV JI Biol. Conserv. PD NOV PY 2006 VL 133 IS 2 BP 178 EP 185 DI 10.1016/j.biocon.2006.06.003 PG 8 WC Biodiversity Conservation; Ecology; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 111LU UT WOS:000242454200005 ER PT J AU Deville, S Saiz, E Tomsia, AP AF Deville, Sylvain Saiz, Eduardo Tomsia, Antoni P. TI Freeze casting of hydroxyapatite scaffolds for bone tissue engineering SO BIOMATERIALS LA English DT Article DE hydroxyapatite; bone tissue engineering; ceramic structure; porosity; freeze casting ID IN-VITRO CHARACTERIZATION; BETA-TRICALCIUM PHOSPHATE; POROUS HYDROXYAPATITE; CALCIUM-PHOSPHATE; MECHANICAL-PROPERTIES; COMPRESSIVE STRENGTH; GUIDANCE SCAFFOLDS; GELATIN SCAFFOLDS; CELL-GROWTH; SPINAL-CORD AB Although extensive efforts have been put into the development of porous scaffolds for bone regeneration, with encouraging results, all porous materials have a common limitation: the inherent lack of strength associated with porosity. Hence, the development of porous hydroxyapatite scaffolds has been hindered to non-load bearing applications. We report here how freeze casting can be applied to synthesize porous scaffolds exhibiting unusually high compressive strength, e.g. up to 145 MPa for 47% porosity and 65 MPa for 56% porosity. The materials are characterized by well-defined pore connectivity along with directional and completely open porosity. Various parameters affecting the porosity and compressive strength have been investigated, including initial slurry concentration, freezing rate, and sintering conditions. The implications and potential application as bone substitute are discussed. These results might open the way for hydroxyapatite-based materials designed for load-bearing applications. The biological response of these materials is yet to be tested. (c) 2006 Elsevier Ltd. All rights reserved. C1 Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Deville, S (reprint author), Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM SDeville@lbl.gov OI Deville, Sylvain/0000-0002-3363-3184 FU NIDCR NIH HHS [5R01 DE015633] NR 60 TC 382 Z9 397 U1 32 U2 217 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0142-9612 J9 BIOMATERIALS JI Biomaterials PD NOV PY 2006 VL 27 IS 32 BP 5480 EP 5489 DI 10.1016/j.biomaterials.2006.06.028 PG 10 WC Engineering, Biomedical; Materials Science, Biomaterials SC Engineering; Materials Science GA 088ER UT WOS:000240794900002 PM 16857254 ER PT J AU Johnson, NC Hoeksema, JD Bever, JD Chaudhary, VB Gehring, C Klironomos, J Koide, R Miller, RM Moore, J Moutoglis, P Schwartz, M Simard, S Swenson, W Umbanhowar, J Wilson, G Zabinski, C AF Collins Johnson, Nancy Hoeksema, Jason D. Bever, James D. Chaudhary, V. Bala Gehring, Catherine Klironomos, John Koide, Roger Miller, R. Michael Moore, John Moutoglis, Peter Schwartz, Mark Simard, Suzanne Swenson, William Umbanhowar, James Wilson, Gail Zabinski, Catherine TI From Lilliput to Brobdingnag: Extending models of mycorrhizal function across scales SO BIOSCIENCE LA English DT Article DE mycorrhizae; models; plant-microbe interactions; scale; stoichiometry ID HOST-SPECIFICITY; FUNGI; PLANT; DYNAMICS; MUTUALISM; FEEDBACK; COEXISTENCE; COMMUNITY; NITROGEN; PARTNERS AB Mycorrhizae occur in nearly all terrestrial ecosystems. Resource exchange between host plants and mycorrhizal fungi influences community, ecosystem, and even global patterns and processes. Understanding the mechanisms and consequences of mycorrhizal symbioses across a hierarchy of scales will help predict system responses to environmental change and facilitate the management of these responses for sustainability and productivity. Conceptual and mathematical models have been developed to help understand and predict mycorrhizal functions. These models are most developed for individual- and population-scale processes, but models at community, ecosystem, and global scales are also beginning to emerge. We review seven types of mycorrhizal models that vary in their scale of resolution and dynamics, and discuss approaches for integrating these models with each other and with general models of terrestrial ecosystems. C1 No Arizona Univ, Dept Biol Sci, Flagstaff, AZ 86011 USA. Univ Calif Santa Cruz, Dept Ecol & Evolut Biol, Santa Cruz, CA 95064 USA. Indiana Univ, Dept Biol, Bloomington, IN 47405 USA. Univ Guelph, Dept Integrat Biol, Guelph, ON N1G 2W1, Canada. Penn State Univ, Dept Hort, University Pk, PA 16802 USA. Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. Colorado State Univ, Dept Forest Reangeland & Watershed Stewardship, Ft Collins, CO 80523 USA. Colorado State Univ, Nat Resource Ecol Lab, Ft Collins, CO 80523 USA. Premier Tech Biotechnol, Riviere Du Loup, PQ G5R 6C1, Canada. Univ Calif Davis, Environm Sci & Policy Dept, Davis, CA 95616 USA. Univ British Columbia, Dept Forest Sci, Vancouver, BC V6T 1Z4, Canada. Univ Calif Riverside, Ctr Conservat Biol, Riverside, CA 92521 USA. Univ N Carolina, Chapel Hill, NC 27599 USA. Kansas State Univ, Div Biol, Manhattan, KS 66506 USA. Montana State Univ, Dept Land Resources & Environm Sci, Bozeman, MT 59717 USA. RP Johnson, NC (reprint author), No Arizona Univ, Dept Biol Sci, Flagstaff, AZ 86011 USA. EM Nancy.Johnson@nau.edu RI Moore, John/E-9802-2011; Schwartz, Mark/G-1066-2011; Wilson, Gail/G-4255-2012; Koide, Roger/I-4033-2012 OI Schwartz, Mark/0000-0002-3739-6542; NR 60 TC 37 Z9 41 U1 0 U2 26 PU AMER INST BIOLOGICAL SCI PI WASHINGTON PA 1444 EYE ST, NW, STE 200, WASHINGTON, DC 20005 USA SN 0006-3568 J9 BIOSCIENCE JI Bioscience PD NOV PY 2006 VL 56 IS 11 BP 889 EP 900 DI 10.1641/0006-3568(2006)56[889:FLTBEM]2.0.CO;2 PG 12 WC Biology SC Life Sciences & Biomedicine - Other Topics GA 104PR UT WOS:000241971200008 ER PT J AU Xie, LQ Jacobson, JM Choi, ES Busa, B Donahue, LR Miller, LM Rubin, CT Judex, S AF Xie, Liqin Jacobson, Jeffrey M. Choi, Edna S. Busa, Bhavin Donahue, Leah Rae Miller, Lisa M. Rubin, Clinton T. Judex, Stefan TI Low-level mechanical vibrations can influence bone resorption and bone formation in the growing skeleton SO BONE LA English DT Article DE high-frequency mechanical stimuli; peak bone mass; bone quality; mechanical strain ID LOW-MAGNITUDE; STRESS-FRACTURES; HIGH-FREQUENCY; ACID-PHOSPHATASE; TRABECULAR BONE; BODY VIBRATION; MASS; STRENGTH; STRAIN; EXERCISE AB Short durations of extremely small magnitude, high-frequency, mechanical stimuli can promote anabolic activity in the adult skeleton. Here, it is determined if such signals can influence trabecular and cortical formative and resorptive activity in the growing skeleton, if the newly formed bone is of high quality, and if the insertion of rest periods during the loading phase would enhance the efficacy of the mechanical regimen. Eight-week-old female BALB/cByJ mice were divided into four groups, baseline control (n = 8), age-matched control (n = 10), whole-body vibration (WBV) at 45 Hz (0.3 g) for 15 min day(-1) (n = 10), and WBV that were interrupted every second by 10 of rest (WBV-R, n = 10). In vivo strain gaging of two additional mice indicated that the mechanical signal induced strain oscillations of approximately 10 microstrain on the periosteal surface of the proximal tibia. After 3 weeks of WBV, applied for 15 min each day, osteoclastic activity in the trabecular metaphysis and epiphysis of the tibia was 33% and 31 % lower (P < 0.05) than in age-matched controls. Bone formation rates (BFR center dot BS-1) on the endocortical surface of the metaphysis were 30% greater (P < 0.05) in WBV than in age-matched control mice but trabecular and middiaphyseal BFR were not significantly altered. The insertion of rest periods (WBV-R) failed to potentiate the cellular effects. Three weeks of either WBV or WBV-R did not negatively influence body mass, bone length, or chemical bone matrix properties of the tibia. These data indicate that, in the growing skeleton, short daily periods of extremely small, high-frequency mechanical signals can inhibit trabecular bone resorption, site specifically attenuate the declining levels of bone formation, and maintain a high level of matrix quality. If WBV prove to be efficacious in the growing human skeleton, they may be able to provide the basis for a non-pharmacological and safe means to increase peak bone mass and, ultimately, reduce the incidence of osteoporosis or stress fractures later in life. (C) 2006 Elsevier Inc. All rights reserved. C1 SUNY Stony Brook, Dept Biomed Engn, Stony Brook, NY 11794 USA. Jackson Lab, Bar Harbor, ME 04609 USA. Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. RP Judex, S (reprint author), SUNY Stony Brook, Dept Biomed Engn, Psychol A,3rd Floor, Stony Brook, NY 11794 USA. EM stefan.judex@sunysb.edu FU NIAMS NIH HHS [AR 43498] NR 44 TC 127 Z9 142 U1 3 U2 19 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 8756-3282 J9 BONE JI Bone PD NOV PY 2006 VL 39 IS 5 BP 1059 EP 1066 DI 10.1016/j.bone.2006.05.012 PG 8 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA 099HP UT WOS:000241584500013 PM 16824816 ER PT J AU Marsh, GE Stanford, GS AF Marsh, Gerald E. Stanford, George S. TI Batteries included SO BULLETIN OF THE ATOMIC SCIENTISTS LA English DT Editorial Material C1 Argonne Natl Lab, Argonne, IL 60439 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU EDUC FOUNDATION NUCLEAR SCI PI CHICAGO PA 6042 SOUTH KIMBARK, CHICAGO, IL 60637 USA SN 0096-3402 J9 B ATOM SCI JI Bull. Atom. Scient. PD NOV-DEC PY 2006 VL 62 IS 6 BP 19 EP 20 DI 10.2968/062006006 PG 2 WC International Relations; Social Issues SC International Relations; Social Issues GA 098TG UT WOS:000241545100020 ER PT J AU Bond-Lamberty, B Brown, KM Goranson, C Gower, ST AF Bond-Lamberty, Ben Brown, Karen M. Goranson, Carol Gower, Stith T. TI Spatial dynamics of soil moisture and temperature in a black spruce boreal chronosequence SO CANADIAN JOURNAL OF FOREST RESEARCH-REVUE CANADIENNE DE RECHERCHE FORESTIERE LA English DT Article ID INTERIOR ALASKA; GEOSTATISTICAL ANALYSIS; FIRE CHRONOSEQUENCE; FOREST ECOSYSTEM; WATER CONTENT; PATTERNS; LANDSCAPE; RESPIRATION; VARIABILITY; SCALES AB This study analyzed the spatial dependencies of soil moisture and temperature in a six-stand chronosequence of boreal black spruce (Picea mariana (Mill.) BSP) stands. Spatial variability of soil temperature (T-SOIL) was evaluated twice during the growing season using four transects in each stand, employing a cyclic sampling design with measurements spaced 2-92 m apart. Soil moisture (theta(g)) was measured on one occasion. A spherical model was used to analyze the geostatistical correlation structure; theta(g) and T-SOIL at the 7- and 21-year-old stands did not exhibit stable ranges or sills. The fits with stable ranges and sills modeled the spatial patterns in the older stands reasonably well, although unexplained variability was high. Calculated ranges varied from 3 to 150 m for these stands, lengths probably related to structural characteristics influential in local-scale energy transfer. Transect-to-transect variability was significant and typically 5%-15% of the mean for T-SOIL and 10%-70% for theta(g). T-SOIL and theta(g) were negatively correlated for most stands and depths, with T-SOIL dropping 0.5-0.9 degrees C for every 1% rise in theta(g). The results reported here provide initial data to assess the spatial variability of T-SOIL and theta(g) in a variety of boreal forest stand ages. C1 Univ Wisconsin, Dept Forest Ecol & Management, Madison, WI 53706 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Massachusetts, Dept Biol, Boston, MA 02125 USA. RP Bond-Lamberty, B (reprint author), Univ Wisconsin, Dept Forest Ecol & Management, 1630 Linden Dr, Madison, WI 53706 USA. EM bpbond@wisc.edu RI Bond-Lamberty, Ben/C-6058-2008 OI Bond-Lamberty, Ben/0000-0001-9525-4633 NR 46 TC 7 Z9 7 U1 1 U2 10 PU NATL RESEARCH COUNCIL CANADA-N R C RESEARCH PRESS PI OTTAWA PA BUILDING M 55, OTTAWA, ON K1A 0R6, CANADA SN 0045-5067 J9 CAN J FOREST RES JI Can. J. For. Res.-Rev. Can. Rech. For. PD NOV PY 2006 VL 36 IS 11 BP 2794 EP 2802 DI 10.1139/S06-160 PG 9 WC Forestry SC Forestry GA 142KE UT WOS:000244647500009 ER PT J AU Sternlicht, MD Dunning, AM Moore, DH Pharoah, PDP Ginzinger, DG Chin, K Gray, JW Waldman, FM Ponder, BAJ Werb, Z AF Sternlicht, Mark D. Dunning, Alison M. Moore, Dan H. Pharoah, Paul D. P. Ginzinger, David G. Chin, Koei Gray, Joe W. Waldman, Frederic M. Ponder, Bruce A. J. Werb, Zena TI Prognostic value of PAI1 in invasive breast cancer: Evidence that tumor-specific factors are more important than genetic variation in regulating PAI1 expression SO CANCER EPIDEMIOLOGY BIOMARKERS & PREVENTION LA English DT Article ID PLASMINOGEN-ACTIVATOR INHIBITOR-1; NECROSIS-FACTOR-ALPHA; COLORECTAL-CANCER; PROMOTER POLYMORPHISM; HIGH-RISK; ADJUVANT CHEMOTHERAPY; MYOCARDIAL-INFARCTION; PLASMA-CONCENTRATIONS; 4G/5G POLYMORPHISM; ENDOTHELIAL-CELLS AB Plasminogen activator inhibitor-1 (PAI1) can promote cancer progression, and its protein expression in tumors is an independent indicator of poor prognosis in many forms of cancer. Here, we show that high PAI1 mRNA levels also predict for shorter overall survival in two independent breast cancer data sets, highlighting the importance of its transcriptional regulation. The -675insG (4G/5G) single-nucleotide polymorphism in the PAI1 gene promoter has been shown to influence PAI1 transcription, with the 4G allele eliciting higher reporter gene expression in vitro and higher levels of circulating PAR in vivo. Nevertheless, its genotypic distribution in 2,539 British women with invasive breast cancer was virtually identical to that seen in 1,832 matched controls (P = 0.72), and annual mortality rates for 4G4G, 4G5G, and 5G5G cases were 2.6%, 2.8%, and 3.1% per year, respectively (P = 0.10). Thus, there was no association with breast cancer incidence or outcome, and in a separate set of breast cancers, the 4G/5G single-nucleotide polymorphism showed no association with PAI1 mRNA expression (P = 0.85). By contrast, connective tissue growth factor (CTGF), which can regulate PAI1 expression in culture, was associated with PAI1 expression in three independent cohorts (P < 0.0001). In addition, PAI1 gene copy number differences in the tumors were correlated with PAI1 mRNA expression (P = 0.0005) and seemed to affect expression independently of CTGF. Thus, local factors, such as CTGF and genomic amplification, seem to be more important than germ line genetic variation in influencing PAR expression and its untoward effects in breast cancer. C1 Univ Calif San Francisco, Dept Anat, San Francisco, CA 94143 USA. Univ Calif San Francisco, Dept Epidemiol & Biostat, San Francisco, CA 94143 USA. Univ Calif San Francisco, Dept Lab Med, San Francisco, CA 94143 USA. Univ Calif San Francisco, Ctr Comprehens Canc, Gen Anal Core Facil, San Francisco, CA 94143 USA. Univ Cambridge, Strangeways Res Lab, Dept Oncol, Care Res UK, Cambridge, England. Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA USA. RP Sternlicht, MD (reprint author), Univ Calif San Francisco, Dept Anat, 513 parnassus Ave,HSW-1301, San Francisco, CA 94143 USA. EM mark.sternlicht@ucsf.edu OI Dunning, Alison Margaret/0000-0001-6651-7166 FU NCI NIH HHS [CA58207, R01 CA057621-13, CA72006, P50 CA058207-11, R01 CA057621-15, P01 CA072006, R01 CA057621, R01 CA057621-14, P50 CA058207] NR 51 TC 41 Z9 43 U1 1 U2 2 PU AMER ASSOC CANCER RESEARCH PI PHILADELPHIA PA 615 CHESTNUT ST, 17TH FLOOR, PHILADELPHIA, PA 19106-4404 USA SN 1055-9965 J9 CANCER EPIDEM BIOMAR JI Cancer Epidemiol. Biomarkers Prev. PD NOV PY 2006 VL 15 IS 11 BP 2107 EP 2114 DI 10.1158/1055-9965.EPI-06-0351 PG 8 WC Oncology; Public, Environmental & Occupational Health SC Oncology; Public, Environmental & Occupational Health GA 107DG UT WOS:000242150300018 PM 17119035 ER PT J AU Shyamala, G Chou, YC Cardiff, RD Vargis, E AF Shyamala, Gopalan Chou, Yu-Chien Cardiff, Robert D. Vargis, Elizabeth TI Effect of c-neu/ErbB2 expression levels on estrogen receptor alpha-dependent proliferation in mammary epithelial cells: Implications for breast cancer biology SO CANCER RESEARCH LA English DT Article ID EPIDERMAL-GROWTH-FACTOR; DUCTAL MORPHOGENESIS; GLAND DEVELOPMENT; TRANSGENIC MICE; SENESCENCE; DIFFERENTIATION; TUMORIGENESIS; PROGESTERONE; ONCOGENE; C-ERBB-2 AB Mammary development and tumorigenesis are profoundly influenced by signaling pathways under the control of c-erbB2/c-neu and estrogen receptor alpha (ER alpha). Signaling through ER alpha is essential for ductal growth during puberty. In mice overexpressing wild-type c-neu in mammary epithelial cells, Tg (c-neu), ductal growth is impaired. An impeded signaling through ER alpha is also observed in a subset of human mammary tumors that overexpress erbB2. However, ductal growth is also impaired in the absence of c-neu in mouse mammary epithelial cells. To resolve this apparent paradox, we examined the relationship between c-neu expression and estrogen/ER alpha-dependent cell proliferation in pubertal Tg (c-neu). We report that proliferation in both terminal end buds and ducts is associated with ER alpha-positive cells, including those that coexpress c-neu, and is abolished in the absence of circulating estradiol. Tg (c-neu) contains hyperplastic mammary ducts with high proliferative index and coexpression of both ER alpha. and c-neu in the dividing cells. These findings suggest that c-neu promotes ER alpha-dependent proliferation, and that this is responsible for the presence of hyperplastic ducts. Some of the hyperplastic ducts have acinar structures, indicative of morphologic differentiation. These ducts have low proliferative index and accompanied by a vast decrease in proliferation of ER alpha-positive cells, including those that express c-neu. As such, c-neu has dual but opposing effects on ER alpha-dependent proliferation in mammary epithelial cells. Therefore, depending on the physiologic setting, ductal morphogenesis will be compromised both in the absence and overexpression of c-neu, thus explaining the paradox. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. Univ Calif Davis, Ctr Comparat Med, Davis, CA 95616 USA. RP Shyamala, G (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, 1 Cyclotron Rd,MS 74-157, Berkeley, CA 94720 USA. EM Shyamala_Harris@lbl.gov RI Vargis, Elizabeth/B-4591-2012 OI Vargis, Elizabeth/0000-0003-3141-9317 FU NCI NIH HHS [CA64551] NR 32 TC 12 Z9 14 U1 0 U2 0 PU AMER ASSOC CANCER RESEARCH PI PHILADELPHIA PA 615 CHESTNUT ST, 17TH FLOOR, PHILADELPHIA, PA 19106-4404 USA SN 0008-5472 J9 CANCER RES JI Cancer Res. PD NOV 1 PY 2006 VL 66 IS 21 BP 10391 EP 10398 DI 10.1158/0008-5472.CAN-06-0321 PG 8 WC Oncology SC Oncology GA 101ZY UT WOS:000241781600025 PM 17079459 ER PT J AU Malfatti, MA Dingley, KH Nowell-Kadlubar, S Ubick, EA Mulakken, N Nelson, D Lang, NP Felton, JS Turteltaub, KW AF Malfatti, Michael A. Dingley, Karen H. Nowell-Kadlubar, Susan Ubick, Esther A. Mulakken, Nisha Nelson, David Lang, Nicholas P. Felton, James S. Turteltaub, Kenneth W. TI The urinary metabolite profile of the dietary carcinogen 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine is predictive of colon DNA adducts after a low-dose exposure in humans SO CANCER RESEARCH LA English DT Article ID UDP-GLUCURONOSYLTRANSFERASE 1A1; HETEROCYCLIC AMINES; 2-AMINO-1-METHYL-6-PHENYLIMIDAZO<4,5-B>PYRIDINE PHIP; COLORECTAL-CANCER; RAT-LIVER; CYTOCHROME P4501A2; IN-VITRO; CYP1A2; FOOD; POLYMORPHISMS AB Epidemiologic evidence indicates that exposure to heterocyclic amines in the diet is an important risk factor for the development of colon cancer. Well-done cooked meats contain significant levels of heterocyclic amines, which have been shown to cause cancer in laboratory animals. To better understand the mechanisms of heterocyclic amine bioactivation in humans, the most mass abundant heterocyclic amine, 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (PhIP), was used to assess the relationship between PhIp metabolism and DNA adduct formation. Ten human volunteers where administered a dietary relevant dose of [(14)C]PhIP 48 to 72 hours before surgery to remove colon tumors. Urine was collected for 24 hours after dosing for metabolite analysis, and DNA was extracted from colon tissue and analyzed by accelerator mass spectrometry for DNA adducts. All 10 subjects were phenotyped for cytochrome P4501A2 (CYP1A2), N-acetyltransferase 2, and sulfotransferase 1A1 enzyme activity. Twelve PhIP metabolites were detected in the urine samples. The most abundant metabolite in all volunteers was N-hydroxy-PhIP-N(2)-glucuronide. Metabolite levels varied significantly between the volunteers. Interindividual differences in colon DNA adducts levels were observed between each individual. The data showed that individuals with a rapid CYP1A2 phenotype and high levels of urinary N-hydroxy-PhIP-N(2)-glucuronide had the lowest level of colon PhIp-DNA adducts. This suggests that glucturonidation plays a significant role in detoxifying N-hydroxy-PhIP. The levels of urinary N-hydroxy-PhIP-N(2)-glucuronide were negatively correlated to colon DNA adduct levels. Although it is difficult to make definite conclusions from a small data set, the results from this pilot study have encouraged further investigations using a much larger study group. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Arkansas Med Sci, Little Rock, AR 72205 USA. Cent Arkansas Vet Healthcare Syst, Little Rock, AR USA. RP Malfatti, MA (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave,L452, Livermore, CA 94550 USA. EM malfattil@llnl.gov FU NCI NIH HHS [CA55751, CA55861, CA58697]; NCRR NIH HHS [RR13461] NR 42 TC 52 Z9 52 U1 0 U2 2 PU AMER ASSOC CANCER RESEARCH PI PHILADELPHIA PA 615 CHESTNUT ST, 17TH FLOOR, PHILADELPHIA, PA 19106-4404 USA SN 0008-5472 J9 CANCER RES JI Cancer Res. PD NOV 1 PY 2006 VL 66 IS 21 BP 10541 EP 10547 DI 10.1158/0008-5472.CAN-06-1573 PG 7 WC Oncology SC Oncology GA 101ZY UT WOS:000241781600043 PM 17079477 ER PT J AU Braun, A Huggins, FE Kelly, KE Mun, BS Ehrlich, SN Huffman, GP AF Braun, Artur Huggins, Frank E. Kelly, Kerry E. Mun, Bongjin S. Ehrlich, Steven N. Huffman, Gerald P. TI Impact of ferrocene on the structure of diesel exhaust soot as probed with wide-angle X-ray scattering and C(1s) NEXAFS spectroscopy SO CARBON LA English DT Article DE non-graphitic carbon; soot; catalyst; X-ray scattering; microstructure ID AMORPHOUS-CARBON; COMBUSTION; FLAMES; ENGINE; ABSORPTION; PARTICLES; ADDITIVES; FUEL AB We report on the structure of a set of diesel exhaust samples that were obtained from reference diesel fuel and diesel fuel mixed with ferrocene. Characterization was carried out with X-ray absorption spectroscopy (C(1s) NEXAFS) and wide-angle X-ray scattering (WAXS). The reference diesel soot shows a pronounced graphite-like microstructure and molecular structure, with a strong (002) graphite Bragg reflex and a strong aromatic C=C resonance at 285 eV. The mineral matter in the reference soot could be identified as Fe2O3 hematite. The soot specimen from the diesel mixed with ferrocene has an entirely different structure and lacks significantly in graphite-like characteristics. NEXAFS spectra of such soot barely show aromatics but pronounced contributions from aliphatic structures. WAXS patterns show almost no intensity at the Bragg (002) reflection of graphite, but a strong aliphatic gamma-side band. The iron from the ferrocene transforms to Fe2O3 maghemite. (c) 2006 Elsevier Ltd. All rights reserved. C1 EMPA, Swiss Fed Labs Mat Testing & Res, CH-8600 Dubendorf, Switzerland. Univ Kentucky, Dept Chem & Mat Engn, Lexington, KY 40506 USA. Univ Kentucky, Consortium Fossil Fuel Sci, Lexington, KY 40506 USA. Univ Utah, Dept Chem & Fuels Engn, Salt Lake City, UT 84112 USA. Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. RP Braun, A (reprint author), EMPA, Swiss Fed Labs Mat Testing & Res, Uberlandstr 129, CH-8600 Dubendorf, Switzerland. EM artur.braun@alumni.ethz.ch RI Huggins, Frank/A-8861-2009; Mun, Bongjin /G-1701-2013; BRAUN, Artur/A-1154-2009; OI BRAUN, Artur/0000-0002-6992-7774; Kelly, Kerry/0000-0002-2232-3092 NR 37 TC 20 Z9 20 U1 0 U2 15 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0008-6223 J9 CARBON JI Carbon PD NOV PY 2006 VL 44 IS 14 BP 2904 EP 2911 DI 10.1016/j.carbon.2006.05.051 PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 097KX UT WOS:000241447500005 ER PT J AU Khan, MI Tabussum, S Marshall, CL Neylon, MK AF Khan, M. Ishaque Tabussum, Saadia Marshall, Christopher L. Neylon, Michael K. TI Catalytic deNO chi properties of novel vanadium oxide based open-framework materials SO CATALYSIS LETTERS LA English DT Article DE vanadium oxides; framework materials; deNO(x); selective catalytic reduction; NOx ID RAY CRYSTAL-STRUCTURE; CLUSTERS; NOX; REDUCTION; EMISSIONS; ZEOLITES; NITROGEN; H2O AB The deNO (x) catalytic properties of a new class of open-framework structure materials, Li-6[Mn-3(H2O)(12)V18O42(XO4)] center dot 24H(2)O (X = V, S) (1), [Fe-3(H2O)(12) V18O42(XO4)] center dot 24H(2)O (X = V, S) (2), [Co-3(H2O)(12)V18O42(XO4)] center dot 24H(2)O (X = V, S) (3), and Li-6[Ni-3(II) (H2O)(12)V-16 (V2O42)-V-VI-O-V(SO4)] center dot 24H(2)O (4), have been studied. The crystal structures of these novel systems consist of three-dimensional arrays of vanadium oxide clusters {V18O42(XO4)} , as building block units, interlinked by {-O-M-O-} (M = Mn, 1; M = Fe, 2; M = Co, 3; M = Ni, 4) bridges. Their open-framework structures contain cavities, similar to those observed in conventional zeolites, which are occupied by exchangeable cations and/or readily removable water of hydration. The catalysts derived from these materials were tested for the selective catalytic reduction (SCR) of nitrogen oxides {NO (x) } into N-2 using a hydrocarbon, propylene, as the reducing agent. The catalysts were ineffective under lean burn conditions. However, the new catalysts, especially the one derived from the cobalt derivative (3), showed intriguing deNO(x) activity under rich conditions. They remove up to similar to 99% of the toxic NOx emissions in 1.5% O-2 with 100% selectivity to N-2. The active phase of the catalysts exhibit good stability, can be readily regenerated, and are selective to the desired product-N-2. The catalytic reactions occur at moderately low temperatures (400-500 degrees C). The catalysts were characterized by FT-IR, temperature programmed reactions (TPR and TPO), SEM, BET surface area measurements, elemental analysis, and X-ray diffraction (XRD). Additional advanced techniques were used to further characterize the catalyst phases that showed most promising deNO (x) activity and increased tolerance to oxygen. C1 IIT, Dept Biol Chem & Phys Sci, Chicago, IL 60616 USA. Argonne Natl Lab, Div Chem Engn, Argonne, IL 60439 USA. RP Khan, MI (reprint author), IIT, Dept Biol Chem & Phys Sci, Chicago, IL 60616 USA. EM khan@iit.edu RI Marshall, Christopher/D-1493-2015 OI Marshall, Christopher/0000-0002-1285-7648 NR 25 TC 13 Z9 13 U1 0 U2 10 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 1011-372X J9 CATAL LETT JI Catal. Lett. PD NOV PY 2006 VL 112 IS 1-2 BP 1 EP 12 DI 10.1007/s10562-006-0156-1 PG 12 WC Chemistry, Physical SC Chemistry GA 114HM UT WOS:000242657300001 ER PT J AU Kwak, JH Kim, DH Szailer, T Peden, CHF Szanyi, J AF Kwak, Ja Hun Kim, Do Heui Szailer, Tamas Peden, Charles H. F. Szanyi, Janos TI NOx uptake mechanism on Pt/BaO/Al2O3 catalysts SO CATALYSIS LETTERS LA English DT Article DE NOx storage/ reduction; Pt/BaO/Al2O3; NO2 adsorption; NO+O-2 adsorption; spill-over; bulk diffusion; kinetic control ID FT-IR; STORAGE/REDUCTION CATALYSTS; STORAGE; REDUCTION; BAO/AL2O3; PERFORMANCE; ADSORPTION; MODEL AB The NO (x) adsorption mechanism on Pt/BaO/Al2O3 catalysts was investigated by performing NO (x) storage/reduction cycles, NO2 adsorption and NO + O-2 adsorption on 2%Pt/(x)BaO/Al2O3 (x = 2, 8, and 20 wt%) catalysts. NO (x) uptake profiles on 2%\Pt/20%BaO/Al2O3 at 523 K show complete uptake behavior for almost 5 min, and then the NO (x) level starts gradually increasing with time and it reaches 75% of the inlet NO (x) concentration after 30 min time-on-stream. Although this catalyst shows fairly high NO (x) conversion at 523 K, only similar to 2.4 wt% out of 20 wt% BaO is converted to Ba(NO3)(2). Adsorption studies by using NO2 and NO + O-2 suggest two different NO (x) adsorption mechanisms. The NO2 uptake profile on 2%Pt/20%BaO/Al2O3 shows the absence of a complete NO (x) uptake period at the beginning of adsorption and the overall NO (x) uptake is controlled by the gas-solid equilibrium between NO2 and BaO/Ba(NO3)(2) phase. When we use NO + O-2, complete initial NO (x) uptake occurs and the time it takes to convert similar to 4% of BaO to Ba(NO3)(2) is independent of the NO concentration. These NO (x) uptake characteristics suggest that the NO + O-2 reaction on the surface of Pt particles produces NO2 that is subsequently transferred to the neighboring BaO phase by spill over. At the beginning of the NO (x) uptake, this spill-over process is very fast and so it is able to provide complete NO (x) storage. However, the NO (x) uptake by this mechanism slows down as BaO in the vicinity of Pt particles are converted to Ba(NO3)(2). The formation of Ba(NO3)(2) around the Pt particles results in the development of a diffusion barrier for NO2, and increases the probability of NO2 desorption and consequently, the beginning of NO (x) slip. As NO (x) uptake by NO2 spill-over mechanism slows down due to the diffusion barrier formation, the rate and extent of NO2 uptake are determined by the diffusion rate of nitrate ions into the BaO bulk, which, in turn, is determined by the gas phase NO2 concentration. C1 Pacific NW Natl Lab, Inst Interfacial Catalysis, Richland, WA 99352 USA. RP Kim, DH (reprint author), Pacific NW Natl Lab, Inst Interfacial Catalysis, Richland, WA 99352 USA. EM do.kim@pnl.gov RI Kwak, Ja Hun/J-4894-2014; Kim, Do Heui/I-3727-2015; OI Peden, Charles/0000-0001-6754-9928 NR 18 TC 34 Z9 34 U1 0 U2 20 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 1011-372X J9 CATAL LETT JI Catal. Lett. PD NOV PY 2006 VL 111 IS 3-4 BP 119 EP 126 DI 10.1007/s10562-006-0153-4 PG 8 WC Chemistry, Physical SC Chemistry GA 099FH UT WOS:000241578200002 ER PT J AU Fernandez-Ramos, A Miller, JA Klippenstein, SJ Truhlar, DG AF Fernandez-Ramos, Antonio Miller, James A. Klippenstein, Stephen J. Truhlar, Donald G. TI Modeling the kinetics of bimolecular reactions SO CHEMICAL REVIEWS LA English DT Review ID TRANSITION-STATE-THEORY; POTENTIAL-ENERGY SURFACE; THERMAL RATE CONSTANTS; DIRECT DYNAMICS CALCULATIONS; LEVEL DIRECT DYNAMICS; HYDROGEN ABSTRACTION REACTION; CHEMICAL-REACTION RATES; REACTION-PATH DYNAMICS; ANGULAR-MOMENTUM CONSERVATION; DENSITY-FUNCTIONAL THEORY C1 Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA. Univ Minnesota, Inst Supercomp, Minneapolis, MN 55455 USA. Univ Santiago de Compostela, Dept Quim Fis, Santiago De Compostela 15782, Spain. Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. RP Truhlar, DG (reprint author), Univ Minnesota, Dept Chem, 207 Pleasant St SE, Minneapolis, MN 55455 USA. RI Fernandez-Ramos, Antonio/A-5690-2008; Truhlar, Donald/G-7076-2015; OI Fernandez-Ramos, Antonio/0000-0002-6468-1592; Truhlar, Donald/0000-0002-7742-7294; Klippenstein, Stephen/0000-0001-6297-9187 NR 1240 TC 273 Z9 277 U1 17 U2 188 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0009-2665 EI 1520-6890 J9 CHEM REV JI Chem. Rev. PD NOV PY 2006 VL 106 IS 11 BP 4518 EP 4584 DI 10.1021/cr050205w PG 67 WC Chemistry, Multidisciplinary SC Chemistry GA 103SD UT WOS:000241906100004 PM 17091928 ER PT J AU Campbell, CG Borglin, SE Green, FB Grayson, A Wozei, E Stringfellow, WT AF Campbell, Chris G. Borglin, Sharon E. Green, F. Bailey Grayson, Allen Wozei, Eleanor Stringfellow, William T. TI Biologically directed environmental monitoring, fate, and transport of estrogenic endocrine disrupting compounds in water: A review SO CHEMOSPHERE LA English DT Review DE estrogenic endocrine disrupting compounds; fate and transport; measurement methods ID LINKED-IMMUNOSORBENT-ASSAY; IMPACTED URBAN ESTUARY; REPORTER GENE ASSAYS; WASTE-WATER; IN-VITRO; MASS-SPECTROMETRY; RIVER WATER; LIQUID-CHROMATOGRAPHY; DEGRADATION-PRODUCTS; STEROID ESTROGENS AB Endocrine disrupting compounds (EDCs) are contaminants that may be hormonally active at low concentrations and are emerging as a major concern for water quality. Estrogenic EDCs (e-EDCs) are a subclass of EDCs that, when organisms are exposed to them, function as estrogens. Given that there are numerous e-EDCs that can negatively affect humans and wildlife, general screening techniques like biologically based assays (BBAs) may provide major advantages by estimating the total estrogenic effects of many e-EDCs in the environment. These techniques may potentially be adapted for field portable biologically directed sampling and analyses. This article summarizes available BBAs used to measure estrogenic e-EDCs in the environmental samples and also presents results relating to fate and transport of e-EDCs. Estrogenic EDCs appear to be almost ubiquitous in the environment, despite low solubility and high affinity of organic matter. Potential transport mechanisms may include: (1) transport of more soluble precursors, (2) colloid facilitated transport, (3) enhanced solubility through elevated pH, and (4) the formation of micelles by longer-chain ethoxylates. Due to their persistent and ubiquitous nature, source control strategies for e-EDCs may reduce influent concentration to wastewater treatment plants so that the post treatment effluent will decrease concentrations to estrogenically inactive levels. Alternatively if source reduction is not possible, then more testing is needed on tertiary treatment technologies and treatment efficiencies for e-EDCs. There is still a need for research on remediation and restoration approaches for habitats disturbed by elevated e-EDC concentrations. (c) 2006 Elsevier Ltd. All rights reserved. C1 Lawrence Livermore Natl Lab, Dept Environm Protect, Water Guidance & Monitoring Grp, Livermore, CA 94551 USA. Lawrence Livermore Natl Lab, Div Earth Sci, Berkeley, CA 94706 USA. RP Campbell, CG (reprint author), Lawrence Livermore Natl Lab, Dept Environm Protect, Water Guidance & Monitoring Grp, POB 808,L-627, Livermore, CA 94551 USA. EM Campbell48@llnl.gov RI Stringfellow, William/O-4389-2015; Borglin, Sharon/I-1013-2016 OI Stringfellow, William/0000-0003-3189-5604; NR 143 TC 186 Z9 206 U1 23 U2 142 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0045-6535 J9 CHEMOSPHERE JI Chemosphere PD NOV PY 2006 VL 65 IS 8 BP 1265 EP 1280 DI 10.1016/j.chemosphere.2006.08.003 PG 16 WC Environmental Sciences SC Environmental Sciences & Ecology GA 112IK UT WOS:000242519000001 PM 16979218 ER PT J AU Zhang, H Pu, ZY Cao, X Fu, SY Xiao, CJ Liu, ZX Korth, A Frazen, M Qiugong, Z Reme, H Glassmeier, KH Friedel, R Reeves, GD Dunlop, MW AF Zhang Hui Pu Zuyin Cao Xin Fu Suiyan Xiao Chijie Liu Zhenxing Korth, A. Frazen, M. Qiugong, Zong Reme, H. Glassmeier, K. H. Friedel, R. Reeves, G. D. Dunlop, M. W. TI Correlation between continuous lobe reconnection in the mid magnetotail and substorm expansion onset SO CHINESE SCIENCE BULLETIN LA English DT Article DE lobe reconnection; magnetospheric substorm; high-speed flow; substorm onset ID PLASMA SHEET; FLOWS AB Data on plasma sheet crossing measured by Cluster/HIA and Cluster/FGM during the period from July to October in 2001-2003 are analyzed. Based on previous work on the characteristic features of continuous lobe reconnection (CLR) described in reference, two case studies and a statistical analysis were carried out on correlation between CLR in the mid magnetotail and substorm expansion onset for the events occurring during this period. It is found that almost all CLR events are in close connection with substorms. The beginning of CLR is almost always a few minutes ahead of substorm activities seen in the near Earth magnetotail and on the ground-based stations. This provides a clear indication that CLR is the virtual cause of substorm expansion onset during the period of continuous southward interplanetary magnetic field. C1 Peking Univ, Sch Earth & Space Sci, Beijing 100871, Peoples R China. Chinese Acad Sci, Ctr Space Sci & Appl Res, Beijing 100080, Peoples R China. Chinese Acad Sci, Natl Astron Observ, Beijing 100081, Peoples R China. Max Planck Inst Solar Syst Res, D-37191 Katlenbury Lindau, Germany. UML, Ctr Atmospher Res, Lowell, MA 01854 USA. CESR, CNRS, F-31028 Toulouse, France. IGM, D-38106 Braunschweig, Germany. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Rutherford Appleton Lab, Chilton OX110 OX, England. RP Pu, ZY (reprint author), Peking Univ, Sch Earth & Space Sci, Beijing 100871, Peoples R China. EM zypu@pku.edu.cn RI Friedel, Reiner/D-1410-2012; dunlop, malcolm/F-1347-2010; Fu, Suiyan/E-9178-2013; Zhang, Hui/G-6600-2014; Reeves, Geoffrey/E-8101-2011 OI Friedel, Reiner/0000-0002-5228-0281; Reeves, Geoffrey/0000-0002-7985-8098 NR 8 TC 1 Z9 1 U1 0 U2 5 PU SCIENCE CHINA PRESS PI BEIJING PA 16 DONGHUANGCHENGGEN NORTH ST, BEIJING 100717, PEOPLES R CHINA SN 1001-6538 J9 CHINESE SCI BULL JI Chin. Sci. Bull. PD NOV PY 2006 VL 51 IS 22 BP 2795 EP 2804 DI 10.1007/s11434-006-2198-6 PG 10 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 113PG UT WOS:000242609200018 ER PT J AU Zhang, CD Dong, M Gualdi, S Hendon, HH Maloney, ED Marshall, A Sperber, KR Wang, WQ AF Zhang, Chidong Dong, Min Gualdi, Silvio Hendon, Harry H. Maloney, Eric D. Marshall, Andrew Sperber, Kenneth R. Wang, Wanqiu TI Simulations of the Madden-Julian oscillation in four pairs of coupled and uncoupled global models SO CLIMATE DYNAMICS LA English DT Article ID GENERAL-CIRCULATION MODEL; TROPICAL INTRASEASONAL OSCILLATION; OUTGOING LONGWAVE RADIATION; NORTHERN-HEMISPHERE SUMMER; SEA-SURFACE TEMPERATURES; COMPOSITE LIFE-CYCLE; CONVECTION PARAMETERIZATION; CUMULUS PARAMETERIZATION; INTERANNUAL VARIABILITY; MOISTURE CONVERGENCE AB The status of the numerical reproduction of the Madden-Julian Oscillation (MJO) by current global models was assessed through diagnoses of four pairs of coupled and uncoupled simulations. Slow eastward propagation of the MJO, especially in low-level zonal wind, is realistic in all these simulations. However, the simulated MJO suffers from several common problems. The MJO signal in precipitation is generally too weak and often eroded by an unrealistic split of an equatorial maximum of precipitation into a double ITCZ structure over the western Pacific. The MJO signal in low-level zonal wind, on the other hand, is sometimes too strong over the eastern Pacific but too weak over the Indian Ocean. The observed phase relationship between precipitation and low-level zonal wind associated with the MJO in the western Pacific and their coherence in general are not reproduced by the models. The seasonal migration in latitude of MJO activity is missing in most simulations. Air-sea coupling generally strengthens the simulated eastward propagating signal, but its effects on the phase relationship and coherence between precipitation and low-level zonal wind, and on their geographic distributions, seasonal cycles, and interannual variability are inconsistent among the simulations. Such inconsistency cautions generalization of results from MJO simulations using a single model. In comparison to observations, biases in the simulated MJO appear to be related to biases in the background state of mean precipitation, low-level zonal wind, and boundary-layer moisture convergence. This study concludes that, while the realistic simulations of the eastward propagation of the MJO are encouraging, reproducing other fundamental features of the MJO by current global models remains an unmet challenge. C1 MPO, Miami, FL 33149 USA. Univ Miami, Rosenstiel Sch Marine & Atmospher Sci, Miami, FL 33149 USA. Natl Inst Geophys & Volcanol, Bologna, Italy. BMRC, Melbourne, Vic, Australia. Oregon State Univ, Corvallis, OR 97331 USA. Monash Univ, Melbourne, Vic 3004, Australia. Lawrence Livermore Natl Lab, PCMDI, Livermore, CA USA. NOAA, CPC, NCEP, Camp Springs, MD USA. RP Zhang, CD (reprint author), MPO, 4600 Rickenbacker Causeway, Miami, FL 33149 USA. EM czhang@rsmas.miami.edu RI Maloney, Eric/A-9327-2008; Gualdi, Silvio/F-3061-2015; Sperber, Kenneth/H-2333-2012 OI Maloney, Eric/0000-0002-2660-2611; Gualdi, Silvio/0000-0001-7777-8935; NR 93 TC 125 Z9 126 U1 1 U2 4 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0930-7575 EI 1432-0894 J9 CLIM DYNAM JI Clim. Dyn. PD NOV PY 2006 VL 27 IS 6 BP 573 EP 592 DI 10.1007/s00382-006-0148-2 PG 20 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 085OP UT WOS:000240613700002 ER PT J AU Westmoreland, PR Law, ME Cool, TA Wang, J McIlroy, A Taatjes, CA Hansen, N AF Westmoreland, Ph. R. Law, M. E. Cool, T. A. Wang, J. McIlroy, A. Taatjes, C. A. Hansen, N. TI Analysis of flame structure by molecular-beam mass spectrometry using electron-impact and synchrotron-photon ionization SO COMBUSTION EXPLOSION AND SHOCK WAVES LA English DT Article DE flame structure; mass spectrometry; ionization; synchrotron radiation; isomers ID KINETICS; CHEMISTRY; ISOMERS AB Molecular-beam mass spectrometry (MBMS) has proven to be a powerful tool for the general analysis of flame structure, providing concentrations of radical and stable species for low-pressure flat flames since the work of Homann and Wagner in the 1960's. In this paper, we will describe complementary measurements using electron-impact ionization with a high-mass-resolution quadrupole mass spectrometer and vacuum-ultraviolet photoionization in a time-of-flight mass spectrometer. Isomers are resolved that have not been separately detectable before in MBMS studies of flames, including C3H2, C3H4, C4H3, C4H4, C4H5, C6H6, and C2H4O. The qualitative and quantitative results of MBMS have led to advances in modeling and applying flame chemistry. C1 Univ Massachusetts, Dept Chem Engn, Amherst, MA 01003 USA. Cornell Univ, Sch Appl & Engn Phys, Ithaca, NY 14853 USA. Sandia Natl Labs, Combust Res Facil, Ithaca, NY 14853 USA. RP Westmoreland, PR (reprint author), Univ Massachusetts, Dept Chem Engn, Amherst, MA 01003 USA. EM westm@ecs.umass.edu RI Hansen, Nils/G-3572-2012 NR 8 TC 7 Z9 7 U1 2 U2 13 PU CONSULTANTS BUREAU/SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0010-5082 J9 COMBUST EXPLO SHOCK+ JI Combust. Explos. PD NOV-DEC PY 2006 VL 42 IS 6 BP 672 EP 677 DI 10.1007/s10573-006-0100-0 PG 6 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Materials Science, Multidisciplinary SC Thermodynamics; Energy & Fuels; Engineering; Materials Science GA 123VR UT WOS:000243324700005 ER PT J AU Kuhl, AL Neuwald, P Reichenbach, H AF Kuhl, A. L. Neuwald, P. Reichenbach, H. TI Effectiveness of combustion of shock-dispersed fuels in calorimeters of various volumes SO COMBUSTION EXPLOSION AND SHOCK WAVES LA English DT Article DE shock-dispersed fuel; aluminum; energy liberation; combustion; explosion AB The combustion of a shock-dispersed-fuel charge consisting of 1-g flake Al in 6.6-, 21.5-, and 40.5-liter bomb calorimeters were investigated. Wall pressure histories were used to diagnose the effect of energy release due to turbulent mixing and combustion of the explosion cloud with air. These effects lead to a factor of four increase in the peak quasistatic pressure for the 6.6-liter chamber. Pressure decay was observed at late times and was ascribed to energy losses to the walls due to radiation heat transfer. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Fraunhofer Inst High Speed Dynam, Ernst Mach Inst, Freiburg, Germany. RP Kuhl, AL (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM kuhl2@llnl.gov NR 3 TC 9 Z9 9 U1 2 U2 4 PU CONSULTANTS BUREAU/SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0010-5082 J9 COMBUST EXPLO SHOCK+ JI Combust. Explos. PD NOV-DEC PY 2006 VL 42 IS 6 BP 731 EP 734 DI 10.1007/s10573-006-0108-5 PG 4 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Materials Science, Multidisciplinary SC Thermodynamics; Energy & Fuels; Engineering; Materials Science GA 123VR UT WOS:000243324700013 ER PT J AU Teuscher, C AF Teuscher, Christof TI Biologically uninspired computer science SO COMMUNICATIONS OF THE ACM LA English DT Article C1 Los Alamos Natl Lab, Adv Comp Lab, Los Alamos, NM 87544 USA. RP Teuscher, C (reprint author), Los Alamos Natl Lab, Adv Comp Lab, POB 1663, Los Alamos, NM 87544 USA. EM christof@teuscher.ch NR 5 TC 5 Z9 5 U1 0 U2 0 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036 USA SN 0001-0782 J9 COMMUN ACM JI Commun. ACM PD NOV PY 2006 VL 49 IS 11 BP 27 EP 29 DI 10.1145/1167838.1167856 PG 3 WC Computer Science, Hardware & Architecture; Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA 100KB UT WOS:000241666500009 ER PT J AU Ionita, A Weitsman, YJ AF Ionita, A. Weitsman, Y. J. TI On the mechanical response of randomly reinforced chopped-fibers composites: Data and model SO COMPOSITES SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 18th Annual Technical Conference of the American-Society-for-Composites CY OCT 19-22, 2003 CL Gainesville, FL SP Amer Soc Composites DE polymeric composites; random reinforcement; statistical aspects; stiffness; creep; failure; size effects ID THERMOPLASTIC COMPOSITES AB Based on a substantial amount of stiffness and failure data for a randomly reinforced, chopped carbon fiber-strand, polymeric composite, this article presents a mechanics based material model that strives to explain the above phenomena. The model simulates the random geometry of the material and utilizes basic ideas of composite laminate theory to predict material properties and failure. In addition, statistical studies are performed in order to assess aspects of size effects on the measured response of this material. (c) 2006 Elsevier Ltd. All rights reserved. C1 Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Knoxville, TN 37996 USA. RP Weitsman, YJ (reprint author), Oak Ridge Natl Lab, Div Met & Ceram, POB 2008, Oak Ridge, TN USA. EM dpenumad@utk.edu NR 11 TC 19 Z9 19 U1 0 U2 6 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0266-3538 J9 COMPOS SCI TECHNOL JI Compos. Sci. Technol. PD NOV PY 2006 VL 66 IS 14 BP 2566 EP 2579 DI 10.1016/j.compscitech.2006.01.019 PG 14 WC Materials Science, Composites SC Materials Science GA 083VQ UT WOS:000240486700022 ER PT J AU Li, DS Saheli, G Khaleel, M Garmestani, H AF Li, D. S. Saheli, G. Khaleel, M. Garmestani, H. TI Quantitative prediction of effective conductivity in anisotropic heterogeneous media using two-point correlation functions SO COMPUTATIONAL MATERIALS SCIENCE LA English DT Article DE statistical continuum; heterogeneous; effective conductivity; correlation function; anisotropy ID MICROSTRUCTURE-SENSITIVE DESIGN; STATISTICAL CONTINUUM THEORY; POLYCRYSTALLINE MATERIALS; APPROXIMATIONS; BEHAVIOR; MODEL AB Statistical continuum approach is used to predict effective conductivity of anisotropic random porous heterogeneous media using two-point correlation functions. Probability functions play a critical role in describing the statistical distribution of different constituents in a heterogeneous media. In this study a three-dimensional two-point correlation function is utilized to characterize the anisotropic media without making any assumption on the microstructure. Examples in this study demonstrated how the model captured the anisotropy in effective conductivity of the random heterogeneous media. Predicted results showed the influence of microstructure on the effective conductivity tensor. (c) 2006 Elsevier B.V. All rights reserved. C1 Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Garmestani, H (reprint author), Georgia Inst Technol, Sch Mat Sci & Engn, 771 Ferst Dr, Atlanta, GA 30332 USA. EM hamid.garmestani@mse.gatech.edu OI khaleel, mohammad/0000-0001-7048-0749 NR 25 TC 28 Z9 28 U1 2 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0256 J9 COMP MATER SCI JI Comput. Mater. Sci. PD NOV PY 2006 VL 38 IS 1 BP 45 EP 50 DI 10.1016/j.commatsci.2006.01.004 PG 6 WC Materials Science, Multidisciplinary SC Materials Science GA 095IA UT WOS:000241300200006 ER PT J AU Addis, B Leyffer, S AF Addis, Bernardetta Leyffer, Sven TI A trust-region algorithm for global optimization SO COMPUTATIONAL OPTIMIZATION AND APPLICATIONS LA English DT Article DE global optimization; smoothing; trust region AB We consider the global minimization of a bound-constrained function with a so-called funnel structure. We develop a two-phase procedure that uses sampling, local optimization, and Gaussian smoothing to construct a smooth model of the underlying funnel. The procedure is embedded in a trust-region framework that avoids the pitfalls of a fixed sampling radius. We present a numerical comparison to three popular methods and show that the new algorithm is robust and uses up to 20 times fewer local minimizations steps. C1 Univ Florence, Dipartimento Sistemi & Informat, I-50129 Florence, Italy. Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Addis, B (reprint author), Univ Florence, Dipartimento Sistemi & Informat, Via S Marta 3, I-50129 Florence, Italy. EM addis@dsi.unifi.it; leyffer@mcs.anl.gov NR 20 TC 11 Z9 12 U1 0 U2 2 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0926-6003 J9 COMPUT OPTIM APPL JI Comput. Optim. Appl. PD NOV PY 2006 VL 35 IS 3 BP 287 EP 304 DI 10.1007/s10589-006-8716-2 PG 18 WC Operations Research & Management Science; Mathematics, Applied SC Operations Research & Management Science; Mathematics GA 128WW UT WOS:000243691400001 ER PT J AU Foster, I Kesselman, C AF Foster, Ian Kesselman, Carl TI Scaling system-level science: Scientific exploration and IT implications SO COMPUTER LA English DT Article C1 Argonne Natl Lab, Computat Inst, Argonne, IL 60439 USA. Univ So Calif, Inst Informat Sci, Ctr Grid Technol, Los Angeles, CA 90089 USA. Univ Chicago, Dept Comp Sci, Chicago, IL 60637 USA. Univ So Calif, Dept Comp Sci, Los Angeles, CA 90089 USA. RP Foster, I (reprint author), Argonne Natl Lab, Computat Inst, Argonne, IL 60439 USA. EM foster@mcs.anl.gov; carl@isi.edu RI Foster, Ian/A-1357-2007; OI Foster, Ian/0000-0003-2129-5269; Kesselman, Carl/0000-0003-0917-1562 NR 9 TC 27 Z9 27 U1 0 U2 2 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 0018-9162 J9 COMPUTER JI Computer PD NOV PY 2006 VL 39 IS 11 BP 31 EP 39 DI 10.1109/MC.2006.397 PG 9 WC Computer Science, Hardware & Architecture; Computer Science, Software Engineering SC Computer Science GA 103SN UT WOS:000241907100006 ER PT J AU Altunok, E Taha, MMR Epp, DS Mayes, RL Baca, TJ AF Altunok, Erdogan Taha, Mahmoud M. Reda Epp, David S. Mayes, Randy L. Baca, Thomas J. TI Damage pattern recognition for structural health monitoring using fuzzy similarity prescription SO COMPUTER-AIDED CIVIL AND INFRASTRUCTURE ENGINEERING LA English DT Article ID SEARCH ALGORITHMS; IDENTIFICATION; CONVERGENCE; CONCRETE; MODEL AB Structural health monitoring (SHM) is a systematic method for non-destructive evaluation of a structure's performance by sensing, extracting, patterning, and recognizing features of the structural response. Most SHM approaches focus on statistical analysis for damage identification considering only random uncertainties. This article introduces a method that allows accommodating other types of uncertainties due to ambiguity, vagueness, and fuzziness which are statistically non-describable. The proposed method deals primarily with epistemic uncertainty. The method improves damage identification by performing damage pattern recognition using fuzzy sets. In this approach, healthy observations are used to construct a fuzzy set representing healthy performance characteristics. Additionally, the bounds on the similarities among the structural damage states are prescribed. Thus, an optimal group of fuzzy sets representing damage states such as little, moderate, and severe damage can be inferred as an inverse problem from healthy observations only. Piecewise linear functions are used as fuzzy membership functions representing the states of healthy and damaged. The optimal group of damage fuzzy sets is used to classify a set of observations at any unknown state of damage using the principles of fuzzy pattern recognition based on maximum approaching degree. A case study for damage pattern recognition of a model steel bridge is presented and discussed. The approach is capable of identifying damage patterns accurately. C1 Univ New Mexico, Dept Civil Engn, Albuquerque, NM 87131 USA. Sandia Natl Labs, Struct Dynam Engn Dept, Albuquerque, NM 87185 USA. RP Taha, MMR (reprint author), Univ New Mexico, Dept Civil Engn, Albuquerque, NM 87131 USA. EM mrtaha@unm.edu NR 37 TC 12 Z9 13 U1 1 U2 5 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 1093-9687 J9 COMPUT-AIDED CIV INF JI Comput.-Aided Civil Infrastruct. Eng. PD NOV PY 2006 VL 21 IS 8 BP 549 EP 560 DI 10.1111/j.1467-8667.2006.00457.x PG 12 WC Computer Science, Interdisciplinary Applications; Construction & Building Technology; Engineering, Civil; Transportation Science & Technology SC Computer Science; Construction & Building Technology; Engineering; Transportation GA 081XA UT WOS:000240349700001 ER PT J AU Falgout, RD AF Falgout, Robert D. TI An introduction to algebraic multigrid SO COMPUTING IN SCIENCE & ENGINEERING LA English DT Article ID SMOOTHED AGGREGATION AB Algebraic multigrid ( AMG) solves linear systems based on multigrid principles, but in a way that depends only on the coefficients in the underlying matrix. C1 Lawrence Livermore Natl Lab, CASC, Livermore, CA USA. Lawrence Livermore Natl Lab, Scalable Linear Solvers Project, Livermore, CA USA. RP Falgout, RD (reprint author), Lawrence Livermore Natl Lab, CASC, Livermore, CA USA. EM rfalgout@llnl.gov NR 19 TC 57 Z9 59 U1 0 U2 1 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1521-9615 J9 COMPUT SCI ENG JI Comput. Sci. Eng. PD NOV-DEC PY 2006 VL 8 IS 6 BP 24 EP 33 DI 10.1109/MCSE.2006.105 PG 10 WC Computer Science, Interdisciplinary Applications SC Computer Science GA 096AN UT WOS:000241349500006 ER PT J AU Bergen, B Gradl, T Rude, U Hulsemann, F AF Bergen, Benjamin Gradl, Tobias Ruede, Ulrich Huelsemann, Frank TI A massively parallel multigrid method for finite elements SO COMPUTING IN SCIENCE & ENGINEERING LA English DT Article AB The hierarchical hybrid grid framework supports the parallel implementation of multigrid solvers for finite element problems. Specifically, it generates extremely fine meshes by using a structured refinement of an unstructured base mesh. For special problems with piecewise uniform material parameters, this leads to the possibility of using stencil-based operations, which permit a very efficient implementation of the multigrid method. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Erlangen Nurnberg, D-8520 Erlangen, Germany. RP Bergen, B (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM bergen@lanl.gov; tobias.gradl@informatik.uni-erlangen.de; ruede@informatik.uni-erlangen.de; frank.hulsemann@edf.fr OI Ruede, Ulrich/0000-0001-8796-8599 NR 9 TC 34 Z9 35 U1 0 U2 8 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1521-9615 J9 COMPUT SCI ENG JI Comput. Sci. Eng. PD NOV-DEC PY 2006 VL 8 IS 6 BP 56 EP 62 DI 10.1109/MCSE.2006.102 PG 7 WC Computer Science, Interdisciplinary Applications SC Computer Science GA 096AN UT WOS:000241349500009 ER PT J AU Alexandrova, AN Boldyrev, AI Zhai, HJ Wang, LS AF Alexandrova, Anastassia N. Boldyrev, Alexander I. Zhai, Hua-Jin Wang, Lai-Sheng TI All-boron aromatic clusters as potential new inorganic ligands and building blocks in chemistry SO COORDINATION CHEMISTRY REVIEWS LA English DT Review DE boron clusters; multiple aromaticity; multiple antiaromaticity; conflicting aromaticity; photoelectron spectroscopy ID DENSITY-FUNCTIONAL THEORY; ELECTRON PROPAGATOR CALCULATIONS; COLLISION-INDUCED DISSOCIATION; INDEPENDENT CHEMICAL-SHIFTS; TRANSITION-METAL CLUSTERS; GAUSSIAN-BASIS SETS; AB-INITIO; PHOTOELECTRON-SPECTROSCOPY; POLYHEDRAL BORANES; EXCITED-STATES AB Small boron clusters as individual species in the gas phase are reviewed. While the family of known boron compounds is rich and diverse, a large body of hitherto unknown chemistry of boron has been recently identified. Free boron clusters have been recently characterized using photoelectron spectroscopy and ab initio calculations, which have established the planar or quasi-planar shapes of small boron clusters for the first time. This has surprised the scientific community, as the chemistry of boron has been diversely featured by three-dimensional structures. The planarity of the species has been further elucidated on the basis of multiple aromaticity, multiple antiaromaticity, and conflicting aromaticity. Although mostly observed in the gas phase, pure boron clusters are promising molecules for coordination chemistry as potential new ligands and for materials science as new building blocks. The use of pure boron species as novel ligands has commenced, suggesting many new chemistries are ahead of us. (c) 2006 Elsevier B.V. All rights reserved. C1 Washington State Univ, Dept Phys, Richland, WA 99354 USA. Utah State Univ, Dept Chem & Biochem, Logan, UT 84322 USA. Pacific NW Natl Lab, WR Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. RP Boldyrev, AI (reprint author), Washington State Univ, Dept Phys, 2710 Univ Dr, Richland, WA 99354 USA. EM boldyrev@cc.usu.edu; ls.wang@pnl.gov RI Boldyrev, Alexander/C-5940-2009 OI Boldyrev, Alexander/0000-0002-8277-3669 NR 194 TC 283 Z9 288 U1 12 U2 92 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0010-8545 J9 COORDIN CHEM REV JI Coord. Chem. Rev. PD NOV PY 2006 VL 250 IS 21-22 SI SI BP 2811 EP 2866 DI 10.1016/j.ccr.2006.03.032 PG 56 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 086CT UT WOS:000240651400007 ER PT J AU Rebak, RB Etien, RA Gordon, SR Ilevbare, GO AF Rebak, R. B. Etien, R. A. Gordon, S. R. Ilevbare, G. O. TI Influence of black annealing oxide scale on the anodic behavior of alloy 22 SO CORROSION LA English DT Article DE black annealing; chloride; corrosion rate; crevice corrosion; repassivation potential; solution heat treatment; temperature; UNSN06022 ID LOCALIZED CORROSION SUSCEPTIBILITY; WASTE; ENVIRONMENTS AB The resistance of Alloy 22 (UNS N06022) to localized corrosion, mainly crevice corrosion, has been investigated extensively in the last few years. The effect of influencing variables such as temperature, applied potential, chloride concentration, and nitrate inhibitor concentration have been addressed previously. At this time, it was important to address the effect an oxide film or scale has that forms during the high-temperature annealing process or solution heat treatment (SHT) and its subsequent water quenching. Electrochemical tests such as cyclic potentiodynamic polarization (CPP) have been carried out to determine the repassivation potential for localized corrosion and to assess the mode of attack on the specimens. Tests have been carried out in parallel using mill-annealed (MA) specimens free from oxide on the surface. The comparative testing was carried out in six different electrolyte solutions at temperatures ranging from 60 degrees C to 100 degrees C. Results show that the repassivation potential of the specimens containing the black anneal oxide film on the surface was practically the same or higher than the repassivation potential for oxide-free specimens. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Rebak, RB (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave,L-631, Livermore, CA 94550 USA. EM rebak1@llnl.gov OI Rebak, Raul/0000-0002-8070-4475 NR 25 TC 7 Z9 7 U1 0 U2 0 PU NATL ASSN CORROSION ENG PI HOUSTON PA 1440 SOUTH CREEK DRIVE, HOUSTON, TX 77084-4906 USA SN 0010-9312 J9 CORROSION JI Corrosion PD NOV PY 2006 VL 62 IS 11 BP 967 EP 980 PG 14 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 102PZ UT WOS:000241826200004 ER PT J AU Espy, MA Sandin, H Carr, C Hanson, CJ Ward, MD Kraus, RH AF Espy, Michelle A. Sandin, Henrik Carr, Chris Hanson, Christina J. Ward, Michael D. Kraus, Robert H., Jr. TI An instrument for sorting of magnetic microparticles in a magnetic field gradient SO CYTOMETRY PART A LA English DT Article DE field-flow fractionation; magnetophoresis; magnetic microparticles ID FLOW FRACTIONATION; CELL-SEPARATION; NANOPARTICLES AB Background: The goal of our bioassay technique is to demonstrate high throughput, highly parallel, and high sensitivity quantitative molecular analysis that will expand current biomedical research capabilities. To this end, we have built and characterized a magnetophoresis instrument using a flow chamber in a magnetic field gradient to sort magnetic microparticles by their magnetic moment for eventual use as biological labels. Methods: The flow chamber consists of a sample inlet, differential sheath streams, and eight outlets for collecting the microparticles after they have traversed the chamber. Magnetic microparticles are injected into the flow chamber that is positioned in a linear magnetic field gradient. The trajectory for each microparticle is determined by its total magnetic moment and size. The resulting populations of monodispersed magnetic microparticles in the different outlet bins are sorted by their magnetic moment; with the highest magnetic moments being deflected the furthest. Results: We have characterized the system for sorting both superparamagnetic and ferromagnetic microparticles with approximate diameters of 8 mu m and 4.0-4.9 mu m, respectively. To characterize the instrument, we used microparticles with a known size distribution and varied the transit time through the chamber. This is equivalent to varying the magnetic moment, while allowing us to hold the particle properties constant from run-to-run. We demonstrated the ability to reproducibly change the distribution of the particles in the collection bins by varying transit time in good agreement with theory. We identified hydrodynamic instabilities responsible for causing dispersion in the flow. Improvements to the flow chamber hydrodynamics such as reducing the aspect ratio between the sample inlet and the chamber depth and stabilizing the sheath flow resulted in narrow sorting distributions. We measured a sorting reproducibility (percentage of particles returning to their original bin upon resorting individual populations) of 84-89%. Conclusions: We have developed a simple magnetophoresis system for reproducibly sorting magnetic microparticles. This technique will permit the use of microparticles with a wide range of magnetic moments to create a wide range of magnetic labels. Careful consideration of system design and operational parameters enables reliable and reproducible sorting of microparticles with varying size and magnetic content. (c) 2006 international Society for Analytical Cytology. C1 Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA. RP Carr, C (reprint author), Los Alamos Natl Lab, Div Phys, POB 1663, Los Alamos, NM 87545 USA. EM carr@lanl.gov FU NCRR NIH HHS [RR019626-01] NR 14 TC 8 Z9 8 U1 0 U2 5 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 1552-4922 J9 CYTOM PART A JI Cytom. Part A PD NOV 1 PY 2006 VL 69A IS 11 BP 1132 EP 1142 DI 10.1002/cyto.a.20337 PG 11 WC Biochemical Research Methods; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 100RI UT WOS:000241685900005 PM 17051580 ER PT J AU Palosz, B Pantea, C Grzanka, E Stelmakh, S Proffen, T Zerda, TW Palosz, W AF Palosz, B. Pantea, C. Grzanka, E. Stelmakh, S. Proffen, Th. Zerda, T. W. Palosz, W. TI Investigation of relaxation of nanodiamond surface in real and reciprocal spaces SO DIAMOND AND RELATED MATERIALS LA English DT Article; Proceedings Paper CT 11th International Conference on New Diamond Science and Technology/9th Applied Diamond Conference CY MAY 15-19, 2006 CL Res Triangle Pk, NC DE diamond; nanocrystals; structure; neutron diffraction ID POWDER DIFFRACTOMETRY; DIAMOND CRYSTALS; HIGH-PRESSURE; GRAPHITIZATION AB The structure of a nanodiamond powder with an average grain size of 5 nm was investigated using large-Q neutron diffraction. Both Bragg scattering and PDF analysis were employed. The effect of annealing under vacuum at temperatures up to 1200 degrees C was studied. The studies lead to a tentative model of nanocrystalline diamond, where the core with a perfect diamond lattice is surrounded by a shell of compressed diamond lattice, and this core-shell structure is enveloped in a non-diamond carbon. The non-diamond envelope of nanograins, a "gas-like" carbon, is stable up to 1000 degrees C and transforms into a graphite phase (an onion-type structure) at about 1200 degrees C. The amount of non-crystalline carbon in the powder annealed below 1000 degrees C is about 10%. In the sample annealed at 1200 degrees C a graphite-type carbon, with a total of about 15% of SP2 bonds is formed. (c) 2006 Elsevier B.V. All rights reserved. C1 Polish Acad Sci, Inst High Pressure Phys, Warsaw, Poland. LANL, LANSCE, Los Alamos, NM USA. TCU, Dept Phys, Ft Worth, TX USA. NASA, MSFC, BAE Syst, Huntsville, AL USA. RP Palosz, B (reprint author), Polish Acad Sci, Inst High Pressure Phys, Warsaw, Poland. EM palosz@unipress.waw.pl RI Pantea, Cristian/D-4108-2009; Lujan Center, LANL/G-4896-2012; Proffen, Thomas/B-3585-2009; OI Proffen, Thomas/0000-0002-1408-6031; Pantea, Cristian/0000-0002-0805-8923 NR 13 TC 42 Z9 43 U1 0 U2 7 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-9635 J9 DIAM RELAT MATER JI Diam. Relat. Mat. PD NOV-DEC PY 2006 VL 15 IS 11-12 SI SI BP 1813 EP 1817 DI 10.1016/j.diamond.2006.09.001 PG 5 WC Materials Science, Multidisciplinary SC Materials Science GA 118GV UT WOS:000242931300010 ER PT J AU Rovere, M Porro, S Musso, S Shames, A Williams, O Bruno, P Tagliaferro, A Gruen, DM AF Rovere, M. Porro, S. Musso, S. Shames, A. Williams, O. Bruno, P. Tagliaferro, A. Gruen, D. M. TI Low temperature electron spin resonance investigation of ultrananocrystalline diamond films as a function of nitrogen content SO DIAMOND AND RELATED MATERIALS LA English DT Article; Proceedings Paper CT 11th International Conference on New Diamond Science and Technology/9th Applied Diamond Conference CY MAY 15-19, 2006 CL Res Triangle Pk, NC DE nanocrystalline diamond; defects; grain boundaries AB We have investigated the room and low temperature ESR signals in a series of ultrananocrystalline diamond films grown with different N-2 enrichments in the gas phase. We have found that exchange interaction is playing the major role in spin-spin interaction and determines the linewidths. The relatively high values of spin-lattice relaxation and other features of the ESR signals show that the ESR active centers are sitting in the grain boundaries' regions. Crown Copyright (c) 2006 Published by Elsevier B.V. All rights reserved. C1 LAQ Intese, Dept Phys, Turin, Italy. CESMO, Turin, Italy. Ben Gurion Univ Negev, Dept Phys, IL-84105 Beer Sheva, Israel. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Tagliaferro, A (reprint author), LAQ Intese, Dept Phys, Turin, Italy. EM alberto.tagliaferro@polito.it RI Williams, Oliver/B-2776-2009; bruno, paola/G-5786-2011; OI Williams, Oliver/0000-0002-7210-3004 NR 15 TC 9 Z9 9 U1 0 U2 3 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-9635 J9 DIAM RELAT MATER JI Diam. Relat. Mat. PD NOV-DEC PY 2006 VL 15 IS 11-12 SI SI BP 1913 EP 1916 DI 10.1016/j.diamond.2006.07.013 PG 4 WC Materials Science, Multidisciplinary SC Materials Science GA 118GV UT WOS:000242931300031 ER PT J AU Zhou, B Prorok, BC Erdemir, A Eryilmaz, O AF Zhou, B. Prorok, B. C. Erdemir, A. Eryilmaz, O. TI Annealing effects on the mechanical properties of near-frictionless carbon thin films SO DIAMOND AND RELATED MATERIALS LA English DT Article; Proceedings Paper CT 11th International Conference on New Diamond Science and Technology/9th Applied Diamond Conference CY MAY 15-19, 2006 CL Res Triangle Pk, NC DE temperature effects; near-frictionless carbon; Young's modulus; hardness ID DIAMOND-LIKE CARBON; A-C-H; AMORPHOUS-CARBON; TRIBOLOGICAL PROPERTIES; SUPERLOW-FRICTION; SOURCE GAS; WEAR PERFORMANCE; PLASMAS; SCATTERING; EVOLUTION AB In this work, the near-frictionless carbon (NFC) thin films developed at Argonne National Laboratory were annealed at 100 degrees C, 150 degrees C, 200 degrees C, 400 degrees C, and 600 degrees C in nitrogen atmosphere. The changes of the NFC mechanical properties were measured with both static and dynamic nanoindentation methods. It was found that the Young's modulus and hardness decreased with increasing annealing temperatures. Raman spectroscopy, atomic force microscopy (AFM), and scanning electron microscopy (SEM) were used to characterize the film's structural change before nanoindentation testing. Raman characterization indicated that the G peak shifted upwards as the annealing temperature was increased above 150 degrees C, which indicated decreasing sp(3) content. The intensity of the D peak was shown to increase with annealing temperature indicating that the NFC film became more graphite-like. AFM analysis showed an increase of sp(2) clustering with annealing temperature, which resulted in an increase in surface roughness. SEM characterization indicated that as the films were annealed large cracks and numerous pinholes were generated. The characterization results were in good agreement with the measured mechanical properties. (c) 2006 Elsevier B.V. All rights reserved. C1 Auburn Univ, Dept Mech Engn, Auburn, AL 36849 USA. Argonne Natl Lab, Div Energy Technol, Argonne, IL 60439 USA. RP Prorok, BC (reprint author), Auburn Univ, Dept Mech Engn, Auburn, AL 36849 USA. EM Prorok@auburn.edu RI Prorok, Barton/A-7404-2010 NR 30 TC 11 Z9 12 U1 0 U2 3 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-9635 J9 DIAM RELAT MATER JI Diam. Relat. Mat. PD NOV-DEC PY 2006 VL 15 IS 11-12 SI SI BP 2051 EP 2054 DI 10.1016/j.diamond.2006.08.011 PG 4 WC Materials Science, Multidisciplinary SC Materials Science GA 118GV UT WOS:000242931300060 ER PT J AU Zhu, XW Aslam, DM Sullivan, JP AF Zhu, Xiangwei Aslam, Dean M. Sullivan, John P. TI The application of polycrystalline diamond in a thin film packaging process for MEMS resonators SO DIAMOND AND RELATED MATERIALS LA English DT Article; Proceedings Paper CT 11th International Conference on New Diamond Science and Technology/9th Applied Diamond Conference CY MAY 15-19, 2006 CL Res Triangle Pk, NC DE diamond; thin film package; integrated; MEMS; resonator ID CVD AB This paper reports the design, fabrication and testing of a polycrystalline diamond (poly-C) thin film packaging process for a MEMS cantilever type resonator using a 4-mask fabrication process, which integrates chemical vapor deposition (CVD) diamond thin film technology with an encapsulation packaging process. After poly-C cantilever beam resonators were fabricated using the first two masks, a sacrificial PECVD SiO2 layer with a thickness in the range of 4-5 mu m was deposited at 350 degrees C and patterned to create the package anchor. Then, a 4-mu m-thick poly-C film was grown and patterned to create the thin film packaging structure containing fluidic access ports for the removal of the sacrificial layer. The fluidic access ports were finally sealed with an additional poly-C growth. To evaluate the efficacy of the poly-C encapsulation process, poly-C cantilever beam resonators were tested using a piezoelectric actuation and laser detection method before and after the poly-C packaging process. Resonance frequencies measured before and after are in the range of 240-320 kHz, which is consistent with predicted calculations. A modified fabrication process was designed to test the fluidic hermiticity of the thin film package. (c) 2006 Elsevier B.V. All rights reserved. C1 Michigan State Univ, Micro & Nano Technol Lab, E Lansing, MI 48824 USA. Sandia Natl Labs, Nanostruct & Semicond Phys Dept, Albuquerque, NM USA. RP Zhu, XW (reprint author), Michigan State Univ, Micro & Nano Technol Lab, E Lansing, MI 48824 USA. EM zhuxiang@msu.edu NR 11 TC 7 Z9 7 U1 0 U2 2 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-9635 J9 DIAM RELAT MATER JI Diam. Relat. Mat. PD NOV-DEC PY 2006 VL 15 IS 11-12 SI SI BP 2068 EP 2072 DI 10.1016/j.diamond.2006.08.027 PG 5 WC Materials Science, Multidisciplinary SC Materials Science GA 118GV UT WOS:000242931300063 ER PT J AU Schnee, VP Baker, GA Rauk, E Palmer, CP AF Schnee, Vincent P. Baker, Gary A. Rauk, Erika Palmer, Christopher P. TI Electrokinetic chromatographic characterization of novel pseudo-phases based on N-alkyl-N-methylpyrrolidinium ionic liquid type surfactants SO ELECTROPHORESIS LA English DT Article DE linear solvation free energy relationships; MEKC; surfactant behavior ID SOLVATION ENERGY RELATIONSHIP; CAPILLARY CHROMATOGRAPHY; CHEMICAL SELECTIVITY; PSEUDOSTATIONARY PHASES; SOLVENT INTERACTIONS; GAS-CHROMATOGRAPHY; SOLUTE; SEPARATION; ELECTROPHORESIS; SYSTEMS AB MEKC and linear solvation free energy relationships (LSFERs) have been used to characterize the solute distribution between water and self-assemblies formed from ionic liquid type mono-chain cationic surfactants containing a cyclic pyrrolidinium head group. Several features of the solvation environment afforded by these micellar solutions were found to be quite different from that of CTAB, a structurally analogous cationic surfactant with a conventional, acyclic quaternary ammonium head group. None of the LSFER coefficients were found to vary in any systematic way with increasing alkyl chain length for these unique surfactants. Overall, however, these surfactants display different behavior than do all known cationic detergents such as CTAB. In chemical terms, pseudo-phases formed by these N-alkyl-N-methylpyrrolidinium bromides interact more strongly with polar compounds and less strongly with compounds having nonbonding or pi-electrons and are more cohesive compared to the well-studied CTAB. C1 Univ Montana, Dept Chem, Missoula, MT 59812 USA. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN USA. RP Palmer, CP (reprint author), Univ Montana, Dept Chem, Missoula, MT 59812 USA. EM Christopher.Palmer@umontana.edu RI Baker, Gary/H-9444-2016 OI Baker, Gary/0000-0002-3052-7730 NR 46 TC 29 Z9 29 U1 0 U2 6 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0173-0835 J9 ELECTROPHORESIS JI Electrophoresis PD NOV PY 2006 VL 27 IS 21 BP 4141 EP 4148 DI 10.1002/elps.200600268 PG 8 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 108EG UT WOS:000242222500003 PM 17075943 ER PT J AU Kang, SH Lee, S Yeung, ES AF Kang, Seong Ho Lee, Seungah Yeung, Edward S. TI Atypical mobilities of single native DNA molecules in microchip electrophoresis revealed by differential interference contrast microscopy SO ELECTROPHORESIS LA English DT Article DE differential interference contrast; DNA mobility; microchip electrophoresis; single molecule ID LASER-INDUCED FLUORESCENCE; REAL-TIME DYNAMICS; CAPILLARY-ELECTROPHORESIS; PROTEIN MOLECULES; RADIAL MIGRATION; SEPARATION; MANIPULATION; INTERFACE; FRAGMENTS; STREAMS AB A transmitted-light optical microscope using differential interference contrast (DIC) was employed to follow the real-time dynamics of different kb-sized single native dsDNA molecules without fluorescent-dye labeling. In a PDMS/glass microchip, the electrophoretic migration velocities of large dsDNA molecules are lower than small dsDNA molecules in a running buffer of 0.25% v/v nonionic polymeric surfactant C16E6 (n-alkyl polyoxyethylene ether) in 100 mM N-tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid (TES) buffer because the C16E6 behaved as a dynamic polymer. However, the order of migration reversed in 50 mM Gly-Gly buffer. The radial positions of individual DNA molecules (i.e., center or walls of the microchip) did not change the migration order. The atypical migration order correlated well with the results in CE. The alignment of the deformable molecules due to viscous drag is likely responsible for these observations. C1 Chonbuk Natl Univ, Dept Chem, Jeonju 561756, South Korea. Iowa State Univ, Dept Chem, Ames, IA USA. US DOE, Ames Lab, Ames, IA USA. RP Yeung, ES (reprint author), Chonbuk Natl Univ, Dept Chem, Jeonju 561756, South Korea. EM yeung@ameslab.gov NR 44 TC 4 Z9 4 U1 0 U2 6 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0173-0835 J9 ELECTROPHORESIS JI Electrophoresis PD NOV PY 2006 VL 27 IS 21 BP 4149 EP 4157 DI 10.1002/elps.200600154 PG 9 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 108EG UT WOS:000242222500004 PM 17001741 ER PT J AU Eeltink, S Svec, F Frechet, JMJ AF Eeltink, Sebastiaan Svec, Frantisek Frechet, Jean M. J. TI Open-tubular capillary columns with a porous layer of monolithic polymer for highly efficient and fast separations in electrochromatography SO ELECTROPHORESIS LA English DT Article DE capillary column porous-layer; CEC; external band broadening; monolith; open-tubular column ID LIQUID-CHROMATOGRAPHY; STATIONARY PHASES; ELECTROKINETIC CHROMATOGRAPHY; ELECTROOSMOTIC FLOW; SURFACE-CHEMISTRY; MOBILE-PHASE; TECHNOLOGY; PEPTIDES; MEDIA; ELECTROPHORESIS AB Open-tubular columns for CEC separations having inner-wall coated with a thin layer of porous monolithic polymer have been studied. A two-step process including (i) UV-initiated polymerization leading to a layer of porous poly(butyl methacrylate-co-ethylene dimethacrylate), and (ii) UV-initiated grafting of ionizable monomers appear to be well suited for the preparation of these columns. The thickness of the porous polymer layer is controlled by the percentage of monomers in the polymerization mixture and/or length of the irradiation time. The layer thickness significantly affects retention, efficiency, and resolution in open-tubular CEC. Under optimized conditions, column efficiencies up to 400000 plates/m can be achieved. Use of higher temperature and application of pressure enables a significant acceleration of the open-tubular CEC separations. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EO Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA USA. RP Frechet, JMJ (reprint author), Univ Calif Berkeley, Dept Chem, 729 Latimer Hall, Berkeley, CA 94720 USA. EM frechet@berkeley.edu OI Frechet, Jean /0000-0001-6419-0163 FU NIGMS NIH HHS [GM44885] NR 43 TC 71 Z9 72 U1 3 U2 360 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0173-0835 J9 ELECTROPHORESIS JI Electrophoresis PD NOV PY 2006 VL 27 IS 21 BP 4249 EP 4256 DI 10.1002/elps.200600259 PG 8 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 108EG UT WOS:000242222500016 PM 17024717 ER PT J AU Glass, RJ Glass, LM Beyeler, WE Min, HJ AF Glass, Robert J. Glass, Laura M. Beyeler, Walter E. Min, H. Jason TI Targeted social distancing design for pandemic influenza SO EMERGING INFECTIOUS DISEASES LA English DT Article ID STRATEGIES; TRANSMISSION; HOUSEHOLDS; NETWORKS AB Targeted social distancing to mitigate pandemic influenza can be designed through simulation of influenza's spread within local community social contact networks. We demonstrate this design for a stylized community representative of a small town in the United States. The critical importance of children and teenagers in transmission of influenza is first identified and targeted. For influenza as infectious as 1957-58 Asian flu (approximate to 50% infected), closing schools and keeping children and teenagers at home reduced the attack rate by > 90%. For more infectious strains, or transmission that is less focused on the young, adults and the work environment must also be targeted. Tailored to specific communities across the world, such design would yield local defenses against a highly virulent strain in the absence of vaccine and antiviral drugs. C1 Sandia Natl Labs, Natl Infrastruct Simulat & Anal Ctr, Albuquerque, NM 87185 USA. Albuquerque Publ High Sch, Albuquerque, NM USA. RP Glass, RJ (reprint author), Sandia Natl Labs, Natl Infrastruct Simulat & Anal Ctr, Box 5800, Albuquerque, NM 87185 USA. EM rjglass@sandia.gov NR 22 TC 125 Z9 130 U1 0 U2 3 PU CENTERS DISEASE CONTROL PI ATLANTA PA 1600 CLIFTON RD, ATLANTA, GA 30333 USA SN 1080-6040 J9 EMERG INFECT DIS JI Emerg. Infect. Dis PD NOV PY 2006 VL 12 IS 11 BP 1671 EP 1681 PG 11 WC Immunology; Infectious Diseases SC Immunology; Infectious Diseases GA 099DY UT WOS:000241573900007 PM 17283616 ER PT J AU Webber, CA Roberson, JA McWhinney, MC Brown, RE Pinckard, MJ Busch, JF AF Webber, Carrie A. Roberson, Judy A. McWhinney, Marla C. Brown, Richard E. Pinckard, Margaret J. Busch, John F. TI After-hours power status of office equipment in the USA SO ENERGY LA English DT Article DE office equipment; computers; power management; energy star; plug loads; commercial buildings AB Office equipment is expected to be the fastest-growing segment of commercial energy use over the next 20 years, yet many aspects of office equipment energy use are poorly understood. User behavior, such as turning off devices at night or enabling power management (PM), influences energy use to a great extent. The computing environment also plays a role both in influencing user behavior and in the success of PM. Information about turn-off rates and PM rates for office equipment was collected through a series of after-hours audits in commercial buildings. Sixteen businesses were recruited, including offices (small, medium and large offices in a variety of industries), schools, and medical buildings in California, Georgia, and Pennsylvania. The types and power states of office equipment found in these buildings were recorded and analyzed. This article presents these data for computers, monitors, printers, copiers, fax machines, scanners and multifunction devices. These data can be used to improve estimates of both energy consumption for these devices and savings from energy conservation efforts. (c) 2005 Elsevier Ltd. All rights reserved. C1 Lawrence Berkeley Natl Lab, Energy Anal Dept, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Webber, CA (reprint author), Lawrence Berkeley Natl Lab, Energy Anal Dept, Environm Energy Technol Div, MS 90-4000,1 Clytron Rd, Berkeley, CA 94720 USA. EM cawebber@lbl.gov NR 12 TC 40 Z9 40 U1 2 U2 12 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-5442 J9 ENERGY JI Energy PD NOV PY 2006 VL 31 IS 14 BP 2823 EP 2838 DI 10.1016/j.energy.2005.11.007 PG 16 WC Thermodynamics; Energy & Fuels SC Thermodynamics; Energy & Fuels GA 098MG UT WOS:000241524100021 ER PT J AU Clarke, L Weyant, J Birky, A AF Clarke, Leon Weyant, John Birky, Alicia TI On the sources of technological change: Assessing the evidence SO ENERGY ECONOMICS LA English DT Article; Proceedings Paper CT Annual Workshop on Climate Change Impacts and Integrated Assessment CY 2003 CL Stanford Univ Energy Modeling, Stanford, CA HO Stanford Univ Energy Modeling DE energy and environmental models; technological change; climate change ID R-AND-D; PRODUCTIVITY GROWTH; MANUFACTURING-INDUSTRIES; ENVIRONMENTAL-REGULATION; EXPERIENCE CURVE; CO2 ABATEMENT; D SPILLOVERS; INNOVATION; POLICY; RETURN AB This paper uses a selective review of the economic literature on technological change to support four points that are important for interpreting and incorporating technological change into formal models of energy and the environment. The review (1) supports the notion that no single source dominates the process of technological change. It supports roles for R&D and learning-by-doing within an industry, as well as for spillovers from other industries engaged in both of these activities. The literature also (2) supports a strong role for spillovers; (3) indicates that these spillovers are often indirect, requiring own-industry activities to utilize; and (4) indicates that simple experience curve calibrations often used in formal models likely include a range of sources of technological change in addition to learning-by-doing, some of which might not be induced by the sorts of policies typically considered in the climate context. (c) 2006 Elsevier B.V. All rights reserved. C1 Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. Stanford Univ, Stanford, CA 94305 USA. Univ Maryland, College Pk, MD 20742 USA. RP Clarke, L (reprint author), Pacific NW Natl Lab, Joint Global Change Res Inst, 8400 Baltimore Ave,Suite 201, College Pk, MD 20740 USA. EM leon.clarke@pnl.gov NR 75 TC 42 Z9 42 U1 1 U2 12 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0140-9883 J9 ENERG ECON JI Energy Econ. PD NOV PY 2006 VL 28 IS 5-6 BP 579 EP 595 DI 10.1016/j.eneco.2006.05.004 PG 17 WC Economics SC Business & Economics GA 095KQ UT WOS:000241307000004 ER PT J AU Bjornstad, DJ McKee, M AF Bjornstad, David J. McKee, Michael TI Making enduring choices: Uncertainty and public policy SO ENERGY ECONOMICS LA English DT Article; Proceedings Paper CT Annual Workshop on Climate Change Impacts and Integrated Assessment CY 2003 CL Stanford Univ Energy Modeling, Stanford, CA HO Stanford Univ Energy Modeling ID INVESTMENT; DISCOUNT AB This paper provides an experimental test of the theory of investment under uncertainty and applies the theory to a group of policy decisions. Investment under uncertainty describes a class of problems, characterized by uncertainty that resolves itself over time, sunk costs that cannot be fully recovered, and the ability of the decision maker to wait without loss of strategic advantage. It also implies a "bad news principle," under which decision makers are motivated by expected costs, but not expected benefits. The theory is illustrated as a two-period model for which the decision maker can either invest in the first period (and receive a known current return plus an uncertain future return) or defer until the second period when uncertainty is resolved. By foregoing current period benefits a "cost" that is sometimes referred to as an option value is incurred. Parameter values are specified and an experimental test, the results of which closely track the predictions of the theory, is described. Three cases, the structuring of contingent valuation questionnaires, the operalization of the precautionary principle in risk analysis, and the development of public policy to stimulate private investments (as for energy-saving products), are used to illustrate potential public policy applications. (c) 2006 Elsevier B.V. All rights reserved. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Univ Tennessee, Dept Econ, Knoxville, TN 37996 USA. RP Bjornstad, DJ (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM bjornstaddj@ornl.gov; Mmckee2@utk.edu NR 15 TC 4 Z9 4 U1 0 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0140-9883 J9 ENERG ECON JI Energy Econ. PD NOV PY 2006 VL 28 IS 5-6 BP 667 EP 676 DI 10.1016/j.eneco.2006.05.005 PG 10 WC Economics SC Business & Economics GA 095KQ UT WOS:000241307000009 ER PT J AU Lempert, RJ Sanstad, AH Schlesinger, ME AF Lempert, Robert J. Sanstad, Alan H. Schlesinger, Michael E. TI Multiple equilibria in a stochastic implementation of DICE with abrupt climate change SO ENERGY ECONOMICS LA English DT Article; Proceedings Paper CT Annual Workshop on Climate Change Impacts and Integrated Assessment CY 2003 CL Stanford Univ Energy Modeling, Stanford, CA HO Stanford Univ Energy Modeling DE abrupt climate change; integrated assessment; optimization of non-convex models ID THERMOHALINE CIRCULATION; GREENHOUSE; STABILITY; GROWTH AB Integrated assessment modeling of global climate change has focused primarily on gradually occurring changes in the climate system. However, atmospheric and earth scientists have become increasingly concerned that the climate system may be subject to abrupt, discontinuous changes on short time scales, and that anthropogenic greenhouse-gas emissions could trigger such shifts. Incorporating this type of climate dynamics into economic or integrated assessment models can result in model non-convexity and multiple equilibria, and thus complicate policy analysis relative to models with unique, globally optimal policies. Using a version of the Nordhaus DICE model amended in previous research by Keller et al. (2004) [Keller, Klaus, Benjamin M. Bolker, David F. Bradford, 2004. Uncertain climate thresholds and optimal economic growth. Journal of environmental economics and management 48 (1), 723-741], in conjunction with a stochastic global optimization algorithm, we generate "level sets" of solutions, which helps identify multiple equilibria resulting from the potential abrupt cessation of the North Atlantic Thermohaline Circulation. We discuss the implications of this model geometry for formulating greenhouse-gas abatement policy under uncertainty and suggest that this general approach may be useful for addressing a wide range of model non-convexities including those related to endogenous technological change. (c) 2006 Elsevier B.V. All rights reserved. C1 RAND Corp, Santa Monica, CA 90407 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Illinois, Dept Atmospher Sci, Climate Res Grp, Urbana, IL 61801 USA. RP Lempert, RJ (reprint author), RAND Corp, 1776 Main St, Santa Monica, CA 90407 USA. EM lempert@rand.org; ahsanstad@lbl.gov; schiesin@atmos.uiuc.edu NR 18 TC 5 Z9 5 U1 1 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0140-9883 J9 ENERG ECON JI Energy Econ. PD NOV PY 2006 VL 28 IS 5-6 BP 677 EP 689 DI 10.1016/j.eneco.2006.05.013 PG 13 WC Economics SC Business & Economics GA 095KQ UT WOS:000241307000010 ER PT J AU Roy, J Sanstad, AH Sathaye, JA Khaddaria, R AF Roy, Joyashree Sanstad, Alan H. Sathaye, Jayant A. Khaddaria, Raman TI Substitution and price elasticity estimates using inter-country pooled data in a translog cost model SO ENERGY ECONOMICS LA English DT Article; Proceedings Paper CT Annual Workshop on Climate Change Impacts and Integrated Assessment CY 2003 CL Stanford Univ Energy Modeling, Stanford, CA HO Stanford Univ Energy Modeling DE integrated assessment model; translog; fuel and input; elasticity; industry; India; Brazil; South Korea; US ID DEMAND; ENERGY AB Pooled data across several developing countries and the U. S. were used to estimate long-run substitution and price elasticities in a translog framework for the paper, iron and steel, and aggregate manufacturing industries. While the quality of the estimates varies across the several industry-specific models, the results suggest higher values for these elasticities than appear commonly used in integrated assessment models. Estimates of own-price elasticities of energy range from -0.80 to -1.76 and are comparable to estimates from previous econometric studies in the context of developed countries (-0.77 to -0.87). Substitution elasticities show wider variation across countries and industries. For energy and capital they range from -1.96 to 9.80, for labor and energy from 2.61 to 7.11, and for energy and material from -0.26 to 2.07. (c) 2006 Elsevier B.V. All rights reserved. C1 Jadavpur Univ, Dept Econ, Kolkata 700032, India. Jadavpur Univ, Global Change Programme, Kolkata 700032, India. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Roy, J (reprint author), Jadavpur Univ, Dept Econ, Kolkata 700032, India. EM jroy@cal2.vsnl.net.in; Ahsanstad@lbl.gov; Jasathaye@lbl.gov; rkhaddar@yahoo.co.in NR 26 TC 16 Z9 16 U1 1 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0140-9883 EI 1873-6181 J9 ENERG ECON JI Energy Econ. PD NOV PY 2006 VL 28 IS 5-6 BP 706 EP 719 DI 10.1016/j.eneco.2006.05.008 PG 14 WC Economics SC Business & Economics GA 095KQ UT WOS:000241307000012 ER PT J AU Sanstad, AH Roy, J Sathaye, JA AF Sanstad, Alan H. Roy, Joyashree Sathaye, Jayant A. TI Estimating energy-augmenting technological change in developing country industries SO ENERGY ECONOMICS LA English DT Article; Proceedings Paper CT Annual Workshop on Climate Change Impacts and Integrated Assessment CY 2003 CL Stanford Univ Energy Modeling, Stanford, CA HO Stanford Univ Energy Modeling DE technological change; developing countries; industry ID SUBSTITUTION AB Assumptions regarding the magnitude and direction of energy-related technological change have long been recognized as critical determinants of the outputs and policy conclusions derived from integrated assessment models. Particularly in the case of developing countries, however, empirical analysis of technological change has lagged behind simulation modeling. This paper presents estimates of sectoral productivity trends and energy-augmenting technological change for several energy-intensive industries in India and South Korea, and, for comparison, the United States. The key findings are substantial heterogeneity among both industries and countries, and a number of cases of declining energy efficiency. The results are subject to certain technical qualifications both in regards to the methodology and to the direct comparison to integrated assessment parameterizations. Nevertheless, they highlight the importance of closer attention to the empirical basis for common modeling assumptions. (c) 2006 Published by Elsevier B.V. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Jadavpur Univ, Dept Econ, Kolkata 700032, W Bengal, India. RP Sanstad, AH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Mailstop 90-4000,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM ahsanstad@lbl.gov; Jroy@cal2.vsnl.net.in; jasathaye@lbl.gov NR 18 TC 15 Z9 15 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0140-9883 EI 1873-6181 J9 ENERG ECON JI Energy Econ. PD NOV PY 2006 VL 28 IS 5-6 BP 720 EP 729 DI 10.1016/j.eneco.2006.07.005 PG 10 WC Economics SC Business & Economics GA 095KQ UT WOS:000241307000013 ER PT J AU Ye, M Zyren, J Shore, J AF Ye, Michael Zyren, John Shore, Joanne TI Forecasting short-run crude oil price using high- and low-inventory variables SO ENERGY POLICY LA English DT Article DE petroleum; price; forecast AB Since inventories have a lower bound or a minimum operating level, economic literature suggests a nonlinear relationship between inventory level and commodity prices. This was found to be the case in the short-run crude oil market. In order to explore this inventory-price relationship, two nonlinear inventory variables are defined and derived from the monthly normal level and relative level of OECD crude oil inventories from post 1991 Gulf War to October 2003: one for the low inventory state and another for the high inventory state of the crude oil market. Incorporation of low- and high-inventory variables in a single equation model to forecast short-run WTI crude oil prices enhances the model fit and forecast ability. (c) 2005 Elsevier Ltd. All rights reserved. C1 St Marys Coll Maryland, Dept Econ, St Marys City, MD 20686 USA. US DOE, Petr Div, Off Oil & Gas Energy Informat Adm, Washington, DC 20585 USA. RP Ye, M (reprint author), St Marys Coll Maryland, Dept Econ, St Marys City, MD 20686 USA. EM mhye@smcm.edu NR 20 TC 34 Z9 35 U1 0 U2 15 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0301-4215 J9 ENERG POLICY JI Energy Policy PD NOV PY 2006 VL 34 IS 17 BP 2736 EP 2743 DI 10.1016/j.enpol.2005.03.017 PG 8 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA 100CG UT WOS:000241644200012 ER PT J AU Rosenquist, G McNeil, M Iyer, M Meyers, S McMahon, J AF Rosenquist, Greg McNeil, Michael Iyer, Maithili Meyers, Stephen McMahon, James TI Energy efficiency standards for equipment: Additional opportunities in the residential and commercial sectors SO ENERGY POLICY LA English DT Article DE energy conservation; efficiency standards; residential and commercial sector AB Energy efficiency standards for residential and commercial equipment have been a major source of energy conservation in the US This study estimated key national impacts of potential new and upgraded energy efficiency standards. These impacts approximate the opportunity for national benefits that may be lost if energy efficiency standards for residential and commercial equipment are not upgraded and expanded from current levels. The results suggest that national benefits from new and upgraded standards may be substantial. They also indicate that standards for currently unregulated products may yield more benefits than upgrading minimum efficiency standards for products that already have them. The majority of those currently unregulated products are in the commercial sector. Published by Elsevier Ltd. C1 Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Rosenquist, G (reprint author), Lawrence Berkeley Natl Lab, Environm Energy Technol Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM gjrosenquist@lbl.gov NR 25 TC 12 Z9 12 U1 2 U2 3 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0301-4215 J9 ENERG POLICY JI Energy Policy PD NOV PY 2006 VL 34 IS 17 BP 3257 EP 3267 DI 10.1016/j.enpol.2005.06.026 PG 11 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA 100CG UT WOS:000241644200056 ER PT J AU Walker, CB Stolyar, SS Pinel, N Yen, HCB He, ZL Zhou, JZ Wall, JD Stahl, DA AF Walker, Christopher B. Stolyar, Sergey S. Pinel, Nic Yen, Huei-Che B. He, Zhili Zhou, Jizhong Wall, Judy D. Stahl, David A. TI Recovery of temperate Desulfovibrio vulgaris bacteriophage using a novel host strain SO ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID SULFATE-REDUCING BACTERIUM; COMPLETE GENOME SEQUENCE; URANIUM REDUCTION; INSERTION SITES; HILDENBOROUGH; DESULFURICANS; ENVIRONMENT; DIVERSITY; EVOLUTION; VIRUSES AB A novel sulfate-reducing bacterium (strain DePue) closely related to Desulfovibrio vulgaris ssp. vulgaris strain Hildenborough was isolated from the sediment of a heavy-metal impacted lake using established techniques. Although few physiological differences between strains DePue and Hildenborough were observed, pulse-field gel electrophoresis (PFGE) revealed a significant genome reduction in strain DePue. Comparative whole-genome microarray and polymerase chain reaction analyses demonstrated that the absence of genes annotated in the Hildenborough genome as phage or phage-related contributed to the significant genome reduction in strain DePue. Two morphotypically distinct temperate bacteriophage from strain Hildenborough were recovered using strain DePue as a host for plaque isolation. C1 Univ Washington, Dept Civil & Environm Engn, Seattle, WA 98195 USA. Univ Missouri, Dept Agr, Columbia, MO USA. Univ Missouri, Dept Biochem, Columbia, MO USA. Oak Ridge Natl Lab, Microbial Genom Grp, Div Environm Sci, Oak Ridge, TN USA. RP Stahl, DA (reprint author), Univ Washington, Dept Civil & Environm Engn, Seattle, WA 98195 USA. EM dastahl@u.washington.edu RI He, Zhili/C-2879-2012 NR 48 TC 7 Z9 7 U1 2 U2 11 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1462-2912 J9 ENVIRON MICROBIOL JI Environ. Microbiol. PD NOV PY 2006 VL 8 IS 11 BP 1950 EP 1959 DI 10.1111/j.1462-2920.2006.01075.x PG 10 WC Microbiology SC Microbiology GA 089ZB UT WOS:000240919300008 PM 17014494 ER PT J AU Geebelen, W Sappin-Didier, V Ruttens, A Carleer, R Yperman, J Bongue-Boma, K Mench, M Van der Lelie, N Vangronsveld, J AF Geebelen, Wouter Sappin-Didier, Valerie Ruttens, Ann Carleer, Robert Yperman, Jan Bongue-Boma, Kwele Mench, Michel van der Lelie, Niels Vangronsveld, Jaco TI Evaluation of cyclonic ash, commercial Na-silicates, lime and phosphoric acid for metal immobilisation purposes in contaminated soils in Flanders (Belgium) SO ENVIRONMENTAL POLLUTION LA English DT Article; Proceedings Paper CT 8th International Conference on Biogeochemisty of Trace Elements CY APR 03-07, 2005 CL Adelaide, AUSTRALIA DE cadmium; isotopic dilution; isotopic exchange kinetics; phytotoxicity ID AMENDMENT-INDUCED IMMOBILIZATION; IN-SITU FIXATION; GOLD MINE SPOIL; PHASEOLUS-VULGARIS; NONFERROUS METALS; OXIDATIVE STRESS; BAUXITE RESIDUE; REVEGETATION; CADMIUM; ZN AB In order to reduce the health risks associated with historically enriched metal smelting sites in Flanders (Belgium), the capacities of a non-beringite cyclonic ash and commercial Na-silicates to fix metals and create conditions to restore vegetation cover were evaluated and compared to lime and H3PO4. All tested amendments reduced Ca(NO3)(2)-extractable soil metal concentrations and reduced metal uptake in Agrostis capillaris seedlings. Sodium released by Na-silicates was possibly toxic to bean plants while an isotopic dilution technique revealed that metals were only weakly sorbed by silicates (i.e. reversible sorption). Cyclonic ash appeared more efficient than lime in both reducing oxidative stress in beans and Zn, Cu and Ph uptake in grasses. The metal fixing mechanism for both amendments appeared similar (i.e. irreversible fixation at constant pH), in contrast to H3PO4 where at least part of the immobilised Cd was irreversibly fixed across a range of pH. (c) 2006 Elsevier Ltd. All rights reserved. C1 Hasselt Univ, Ctr Environm Sci, B-3590 Diepenbeek, Belgium. INRA, UMR TCEM, Ctr Rech Bordeaux Aquitaine, F-33883 Villenave Dornon, France. Hasselt Univ, Ctr Environm Sci, B-3590 Diepenbeek, Belgium. Univ Bordeaux 1, UMR, INRA, BIOGECO, F-33405 Talence, France. Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Vangronsveld, J (reprint author), Hasselt Univ, Ctr Environm Sci, Agoralaan Gebouw D, B-3590 Diepenbeek, Belgium. EM wouter.geebelen@uhasselt.be; didier@bordeaux.inra.fr; robert.carleer@uhasselt.be; jan.yperman@uhasselt.be; mench@bordeaux.inra.fr; jaco.vangronsveld@uhasselt.be OI Mench, michel/0000-0002-0273-4142 NR 34 TC 15 Z9 22 U1 1 U2 15 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0269-7491 J9 ENVIRON POLLUT JI Environ. Pollut. PD NOV 1 PY 2006 VL 144 IS 1 BP 32 EP 39 DI 10.1016/j.envpol.2006.01.013 PG 8 WC Environmental Sciences SC Environmental Sciences & Ecology GA 092ZY UT WOS:000241138100006 PM 16507330 ER PT J AU Su, YS Hung, H Blanchard, P Patton, GW Kallenborn, R Konoplev, A Fellin, P Li, H Geen, C Stern, G Rosenberg, B Barrie, LA AF Su, Yushan Hung, Hayley Blanchard, Pierrette Patton, Gregory W. Kallenborn, Roland Konoplev, Alexei Fellin, Phil Li, Henrik Geen, Charles Stern, Gary Rosenberg, Bruno Barrie, Leonard A. TI Spatial and seasonal variations of hexachlorocyclohexanes (HCHs) and hexachlorobenzene (HCB) in the Arctic atmosphere SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID PERSISTENT ORGANIC POLLUTANTS; HENRYS LAW CONSTANTS; GAMMA-HEXACHLOROCYCLOHEXANE; ORGANOCHLORINE PESTICIDES; ALPHA-HEXACHLOROCYCLOHEXANE; POLYCHLORINATED-BIPHENYLS; GAS-EXCHANGE; BETA-HEXACHLOROCYCLOHEXANE; ORGANOHALOGEN PESTICIDES; GLOBAL FRACTIONATION AB Weekly high-volume air samples were collected between 2000 and 2003 at six Arctic sites, i.e., Alert, Kinngait, and Little Fox Lake (LFL) in Canada, Point Barrow in Alaska, Valkarkai in Russia, and Zeppelin in Norway. Hexachlorocyclohexanes (HCHs) and hexachlorobenzene (HCB) were quantified in all samples. Comparison showed that alpha-HCH and HCB were homogeneously distributed in the circumpolar atmosphere and uniform throughout the seasons. However, significantly higher atmospheric concentrations of alpha-HCH and HCB and stronger temperature dependence of alpha-HCH and gamma-HCH were found at LFL in Yukon (YK), which is unique among the sites by virtue of its high altitude and low latitude, resulting in higher precipitation rates and summer temperatures. Strong temperature dependence of alpha- and gamma-HCH at this location suggests that secondary emissions, i.e., re-evaporation from surfaces, were more important at this site than others. It is hypothesized that a higher precipitation rate at LFL facilitated the transfer of alpha-HCH from the atmosphere to surface media when technical HCH was still in use worldwide. On the other hand, higher temperature at LFL enhanced re-evaporation to the atmosphere after the global ban of technical HCH. In contrast to alpha-HCH and HCB, larger spatial and seasonal differences were seen for gamma-HCH (a currently used pesticide), which likely reflect the influence of different primary contaminant sources on different Arctic locations. Fugacity ratios suggest a net deposition potential of HCB from air to seawater, whereas seawater/air exchange direction of alpha-HCH varies in the circumpolar environment. C1 Environm Canada, Sci & Technol Branch, Toronto, ON M3H 5T4, Canada. Battelle Pacific NW Div, Richland, WA 99352 USA. Norwegian Inst Air Res, NILU, NO-2027 Kjeller, Norway. Ctr Environm Chem SPA Typhoon, Obninsk 249038, Russia. AirZone One Inc, Mississauga, ON, Canada. Inst Freshwater, Dept Fisheries & Oceans, Winnipeg, MB R3T 2N6, Canada. World Meteorol Org, Atmospher Res & Environm Program, CH-1211 Geneva 2, Switzerland. RP Su, YS (reprint author), Environm Canada, Sci & Technol Branch, 4905 Dufferin St, Toronto, ON M3H 5T4, Canada. EM yushan.su@ec.gc.ca RI Kallenborn, Roland/F-8368-2011; Konoplev, Alexei/E-7281-2016 OI Kallenborn, Roland/0000-0003-1703-2538; Konoplev, Alexei/0000-0002-9930-8739 NR 43 TC 63 Z9 70 U1 1 U2 22 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD NOV 1 PY 2006 VL 40 IS 21 BP 6601 EP 6607 DI 10.1021/es061065q PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 099WV UT WOS:000241628800019 PM 17144284 ER PT J AU Skillman, AD Nagler, JJ Hook, SE Small, JA Schultz, IR AF Skillman, Ann D. Nagler, James J. Hook, Sharon E. Small, Jack A. Schultz, Irvin R. TI Dynamics of 17 alpha-ethynylestradiol exposure in rainbow trout (Oncorhynchus mykiss): Absorption, tissue distribution, and hepatic gene expression pattern SO ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY LA English DT Article DE toxicokinetics; microarray; xenoestrogens; endocrine disruptor ID MEDAKA ORYZIAS-LATIPES; MINNOW PIMEPHALES-PROMELAS; SEWAGE-TREATMENT PLANT; CARP CYPRINUS-CARPIO; ESTROGEN-RECEPTOR; LIFE-CYCLE; IN-VIVO; VITELLOGENIN INDUCTION; SHEEPSHEAD MINNOW; CDNA MICROARRAY AB 17 alpha-Ethynylestradiol (EE2) is a synthetic estrogen identified in sewage effluents. To understand better the absorption kinetics of EE2 and the induction of vitellogenin (VTG) and estrogen receptor alpha (ER alpha) mRNA, we subjected male rainbow trout (Onchorynchus mykiss) to continuous water exposures of 125 ng/L of EE2 for up to 61 d. Trout were either repetitively sampled for blood plasma or serially killed at selected time intervals. Vitellogenin, ER alpha mRNA, and EE2 were measured using enzyme-linked immunosorbent assay and using quantitative polymerase chain reaction and gas chromatography-mass spectrometry, respectively. In separate experiments, trout were exposed to EE2 for 7 d, and hepatic gene expression was assessed using a low- and high-density cDNA microarray. The EE2, was rapidly absorbed by the trout, with an apparent equilibrium at 16 h in plasma and liver. The ER alpha mRNA levels also increased rapidly, reaching near-peak levels by 48 h. In contrast, plasma levels of VTG continuously increased for 19 d. After 61 d, tissues with the highest levels of VTG were the liver, kidney, and testes. Microarray-based gene expression studies provided unexpected results. In some cases, known estrogen-responsive genes (e.g., ER alpha) were unresponsive, whereas many of the genes that have no apparent link to estrogen function or EE2 toxicity were significantly altered in expression. Of the two microarray approaches tested in the present study, the high-density array appeared to be superior because of the improved quality of the hybridization signal and the robustness of the response in terms of the number of genes identified as being EE2 responsive. C1 Pacific NW Natl Lab, Marine Sci Lab, Sequim, WA 98382 USA. Univ Idaho, Dept Biol Sci, Moscow, ID 83844 USA. Univ Idaho, Ctr Reprod Biol, Moscow, ID 83844 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Schultz, IR (reprint author), Pacific NW Natl Lab, Marine Sci Lab, 1529 W Sequim Bay Rd, Sequim, WA 98382 USA. EM ir_schultz@pnl.gov RI Hook, Sharon/D-9067-2011 FU NIEHS NIH HHS [R01 ES012446, R01 ES012446-03, 5R01ES012446-03] NR 41 TC 23 Z9 24 U1 1 U2 18 PU SETAC PI PENSACOLA PA 1010 NORTH 12TH AVE, PENSACOLA, FL 32501-3367 USA SN 0730-7268 J9 ENVIRON TOXICOL CHEM JI Environ. Toxicol. Chem. PD NOV PY 2006 VL 25 IS 11 BP 2997 EP 3005 DI 10.1897/05-565R.1 PG 9 WC Environmental Sciences; Toxicology SC Environmental Sciences & Ecology; Toxicology GA 095LJ UT WOS:000241308900024 PM 17089724 ER PT J AU Fristachi, A AF Fristachi, A. TI Modeling mixtures of organotin compounds leached from polyvinyl chloride pipes used in drinking water distribution systems SO EPIDEMIOLOGY LA English DT Meeting Abstract CT ISEE/ISEA 2006 Conference CY 2006 CL Paris, FRANCE SP ISEE, ISEA C1 ORISE, Cincinnati, OH USA. NR 0 TC 0 Z9 0 U1 0 U2 2 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD NOV PY 2006 VL 17 IS 6 SU S BP S247 EP S247 DI 10.1097/00001648-200611001-00638 PG 1 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 097JL UT WOS:000241443401166 ER PT J AU Fristachi, A Rice, G AF Fristachi, A. Rice, G. TI Estimation of the total daily oral intake of N-nitrosodimethylamine (NDMA) attributable to the consumption of drinking water SO EPIDEMIOLOGY LA English DT Meeting Abstract CT ISEE/ISEA 2006 Conference CY 2006 CL Paris, FRANCE SP ISEE, ISEA C1 ORISE, Cincinnati, OH USA. US Environm Agcy ORD NCEA, Cincinnati, OH USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD NOV PY 2006 VL 17 IS 6 SU S BP S234 EP S234 DI 10.1097/00001648-200611001-00602 PG 1 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 097JL UT WOS:000241443401131 ER PT J AU Gilbert, NL Gauvin, D Guay, M Heroux, ME Dupuis, G Legris, M Chan, CC Dietz, RN Levesque, B AF Gilbert, N. L. Gauvin, D. Guay, M. Heroux, M. E. Dupuis, G. Legris, M. Chan, C. C. Dietz, R. N. Levesque, B. TI Housing characteristics and indoor concentrations of nitrogen dioxide and formaldehyde in Quebec City, Canada SO EPIDEMIOLOGY LA English DT Meeting Abstract CT ISEE/ISEA 2006 Conference CY 2006 CL Paris, FRANCE SP ISEE, ISEA C1 Sante Canada, Ottawa, ON, Canada. INSPQ, Quebec City, PQ, Canada. Direct Sante Publ, Quebec City, PQ, Canada. CASSEN Testing Labs, Toronto, ON, Canada. Brookhaven Natl Lab, Upton, NY 11973 USA. NR 0 TC 1 Z9 1 U1 1 U2 9 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD NOV PY 2006 VL 17 IS 6 SU S BP S353 EP S354 DI 10.1097/00001648-200611001-00938 PG 2 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 097JL UT WOS:000241443401467 ER PT J AU Keating, G Bogen, K AF Keating, Garrett Bogen, Kenneth TI Improved exposure assessment for heterocyclic amine intake SO EPIDEMIOLOGY LA English DT Meeting Abstract CT ISEE/ISEA 2006 Conference CY 2006 CL Paris, FRANCE SP ISEE, ISEA C1 Lawrence Livermore Natl Lab, Livermore, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD NOV PY 2006 VL 17 IS 6 SU S BP S78 EP S78 DI 10.1097/00001648-200611001-00180 PG 1 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 097JL UT WOS:000241443400180 ER PT J AU Lobscheid, A Mckone, T AF Lobscheid, A. Mckone, T. TI Energy efficiency, exposure, and disease burden: The health benefits of adding insulation to California homes? SO EPIDEMIOLOGY LA English DT Meeting Abstract CT ISEE/ISEA 2006 Conference CY 2006 CL Paris, FRANCE SP ISEE, ISEA C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD NOV PY 2006 VL 17 IS 6 SU S BP S216 EP S217 DI 10.1097/00001648-200611001-00552 PG 2 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 097JL UT WOS:000241443401081 ER PT J AU Mckone, T Riley, W Maddalena, R Rosenbaum, R Vallero, D AF Mckone, T. Riley, W. Maddalena, R. Rosenbaum, R. Vallero, D. TI Common issue's in human and ecosystem exposure assessment: The significance of partitioning, kinetics, and uptake at biological exchange surfaces SO EPIDEMIOLOGY LA English DT Meeting Abstract CT ISEE/ISEA 2006 Conference CY 2006 CL Paris, FRANCE SP ISEE, ISEA C1 Lawrence Berkeley Natl Lab, Berkeley, CA USA. Swiss Fed Inst Technol, CH-1015 Lausanne, Switzerland. US EPA, Natl Exposure Res Lab, Res Triangle Pk, NC 27711 USA. RI Riley, William/D-3345-2015 OI Riley, William/0000-0002-4615-2304 NR 0 TC 0 Z9 0 U1 0 U2 1 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD NOV PY 2006 VL 17 IS 6 SU S BP S134 EP S134 DI 10.1097/00001648-200611001-00332 PG 1 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 097JL UT WOS:000241443400332 ER PT J AU McKone, TE AF McKone, Thomas E. TI Estimating children's intake of air toxics at regional scales: The CalTOX modeling and evaluation process SO EPIDEMIOLOGY LA English DT Meeting Abstract CT ISEE/ISEA 2006 Conference CY 2006 CL Paris, FRANCE SP ISEE, ISEA C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD NOV PY 2006 VL 17 IS 6 SU S BP S34 EP S34 DI 10.1097/00001648-200611001-00048 PG 1 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 097JL UT WOS:000241443400048 ER PT J AU McKone, TE AF McKone, Thomas E. TI The relationship of population intake fraction (iF) to environmental persistence SO EPIDEMIOLOGY LA English DT Meeting Abstract CT ISEE/ISEA 2006 Conference CY 2006 CL Paris, FRANCE SP ISEE, ISEA C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD NOV PY 2006 VL 17 IS 6 SU S BP S31 EP S32 DI 10.1097/00001648-200611001-00039 PG 2 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 097JL UT WOS:000241443400039 ER PT J AU Scallan, K Lucas, D Koshland, C AF Scallan, K. Lucas, D. Koshland, C. TI A novel UV-Vis spectroscopic method to detect elemental mercury using gold nanoparticles SO EPIDEMIOLOGY LA English DT Meeting Abstract CT ISEE/ISEA 2006 Conference CY 2006 CL Paris, FRANCE SP ISEE, ISEA C1 Univ Calif Berkeley, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Berkeley, CA USA. NR 0 TC 5 Z9 5 U1 0 U2 1 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD NOV PY 2006 VL 17 IS 6 SU S BP S493 EP S493 DI 10.1097/00001648-200611001-01323 PG 1 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 097JL UT WOS:000241443402344 ER PT J AU Tuohy, JM Jalli, M Cooke, BM Sullivan, EO AF Tuohy, J. M. Jalli, M. Cooke, B. M. Sullivan, E. O' TI Pathogenic variation in populations of Drechslera teres f. teres and D-teres f. maculata and differences in host cultivar responses SO EUROPEAN JOURNAL OF PLANT PATHOLOGY LA English DT Article DE barley; cultivar; detached leaf; Drechslera teres; net blotch; net form; spot form; virulence ID NET BLOTCH RESISTANCE; SPOT-TYPE LESIONS; PYRENOPHORA-TERES; BARLEY CULTIVARS; WESTERN-AUSTRALIA; GRAIN-YIELD; VIRULENCE; LEAVES; INHERITANCE; MARKERS AB The current study examined the variability in the pathogenicity of populations of Drechslera teres f. teres and D. teres f. maculata (the net and spot forms of D. teres) from Ireland and northern Europe. A population of progeny isolates from a mating of net and spot forms was also examined. Significant variation in virulence was found both between and among net form and spot form isolates (p < 0.001). In the Irish population, significant differences were found between the net and spot forms, with the spot form isolates more virulent (p < 0.05). Progeny isolates were significantly more virulent than net form or spot form populations (p < 0.001). Significant differences were found in cultivar reactions, with cv. Botnia most susceptible to both forms of the pathogen (p < 0.001). Cultivar Boreal 94145, although quantitatively resistant, was found to be very susceptible to both forms of the pathogen and to progeny isolates. Cultivars CI 5791, CI 2330 and CI 9819 were all less susceptible to infection by both forms, but were more susceptible to spot form isolates. Significant correlations were found between whole plants and detached leaf experiments for the net form isolates only (p < 0.001). This study illustrates the importance of including both net form and spot form isolates in resistance studies and the need for a clearer understanding for the genetic basis of resistance to the net and spot forms. It also highlights the limitations of using a detached leaf assay for screening of net blotch of barley. C1 Natl Univ Ireland Univ Coll Dublin, UCD Agr & Food Sci Ctr, Sch Biol & Environm Sci, Dublin 4, Ireland. Boreal Plant Breeding Ctr, Jokioinen, Finland. TEAGASC, Crops Res Ctr, Carlow, Ireland. RP Tuohy, JM (reprint author), Natl Univ Ireland Univ Coll Dublin, UCD Agr & Food Sci Ctr, Sch Biol & Environm Sci, Dublin 4, Ireland. EM jane.tuohy@ucd.ie NR 36 TC 12 Z9 12 U1 1 U2 9 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0929-1873 J9 EUR J PLANT PATHOL JI Eur. J. Plant Pathol. PD NOV PY 2006 VL 116 IS 3 BP 177 EP 185 DI 10.1007/s10658-006-9001-z PG 9 WC Agronomy; Plant Sciences; Horticulture SC Agriculture; Plant Sciences GA 092NM UT WOS:000241104100001 ER PT J AU Andersson, LL Rudolph, D Ekman, J Fahlander, C Johansson, EK du Rietz, R Gross, CJ Hausladen, PA Radford, DC Hammond, G AF Andersson, L-L. Rudolph, D. Ekman, J. Fahlander, C. Johansson, E. K. du Rietz, R. Gross, C. J. Hausladen, P. A. Radford, D. C. Hammond, G. TI gamma-ray spectroscopy of excited states in Zn-61(30)31 SO EUROPEAN PHYSICAL JOURNAL A LA English DT Article ID ROTATIONAL BANDS; SHELL-MODEL; ZN-60; CU-59 AB The Zn-61(30)31 isotope has been produced at the Oak Ridge National Laboratory in the fusion-evaporation reaction Ca-40(Mg-24, 2pn)Zn-61 at 104 MeV. The experimental set-up allowed gamma-rays to be detected in the CLARION Ge detector array in coincidence with the detection of recoiling nuclei in the focal plane at the end of the recoil mass spectrometer. This provides a unique identification of gamma-rays belonging to Zn-61. The excited states have been explored by means of recoil-gamma gamma coincidences, and the resulting decay scheme comprises almost 70 transitions. The data reveal numerous non-yrast states and suggest a revised spin and parity assignment for a previously observed superdeformed band. The resulting decay scheme is compared to predictions from different sets of large-scale shell model calculations. C1 Lund Univ, Dept Phys, S-22100 Lund, Sweden. Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37830 USA. Univ Keele, Sch Chem & Phys, Keele ST5 5BG, Staffs, England. RP Andersson, LL (reprint author), Lund Univ, Dept Phys, S-22100 Lund, Sweden. EM lise-lotte.andersson@nuclear.lu.se RI Rudolph, Dirk/D-4259-2009; Ekman, Jorgen/C-1385-2013; du Rietz, Rickard/I-3794-2013; radford, David/A-3928-2015 OI Rudolph, Dirk/0000-0003-1199-3055; du Rietz, Rickard/0000-0002-9884-9058; NR 21 TC 4 Z9 4 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 1434-6001 J9 EUR PHYS J A JI Eur. Phys. J. A PD NOV PY 2006 VL 30 IS 2 BP 381 EP 390 DI 10.1140/epja/i2006-10132-7 PG 10 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 111HC UT WOS:000242441000006 ER PT J AU Perucchi, A Degiorgi, L Hu, RW Petrovic, C Mitrovic, VF AF Perucchi, A. Degiorgi, L. Hu, Rongwei Petrovic, C. Mitrovic, V. F. TI Optical investigation of the metal-insulator transition in FeSb2 SO EUROPEAN PHYSICAL JOURNAL B LA English DT Article ID LOW-TEMPERATURE TRANSPORT AB We present a comprehensive optical study of the narrow gap FeSb2 semiconductor. From the optical reflectivity, measured from the far infrared up to the ultraviolet spectral range, we extract the complete absorption spectrum, represented by the real part sigma(1)(omega) of the complex optical conductivity. With decreasing temperature below 80 K, we find a progressive depletion of sigma(1)(omega) below Eg similar to 300 cm(-1), the semiconducting optical gap. The suppressed (Drude) spectral weight within the gap is transferred at energies omega > E-g and also partially piles up over a continuum of excitations extending in the spectral range between zero and E-g. Moreover, the interaction of one phonon mode with this continuum leads to an asymmetric phonon shape. Even though several analogies between FeSb2 and FeSi were claimed and a Kondo-insulator scenario was also invoked for both systems, our data on FeSb2 differ in several aspects from those of FeSi. The relevance of our findings with respect to the Kondo insulator description will be addressed. C1 ETH, Festkorperphys Lab, CH-8093 Zurich, Switzerland. Brookhaven Natl Lab, Upton, NY 11973 USA. Brown Univ, Dept Phys, Providence, RI 02912 USA. RP Perucchi, A (reprint author), ETH, Festkorperphys Lab, CH-8093 Zurich, Switzerland. EM degiorgi@solid.phys.ethz.ch RI Petrovic, Cedomir/A-8789-2009; Hu, Rongwei/E-7128-2012 OI Petrovic, Cedomir/0000-0001-6063-1881; NR 22 TC 44 Z9 44 U1 2 U2 19 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 1434-6028 J9 EUR PHYS J B JI Eur. Phys. J. B PD NOV PY 2006 VL 54 IS 2 BP 175 EP 183 DI 10.1140/epjb/e2006-00433-1 PG 9 WC Physics, Condensed Matter SC Physics GA 119ZI UT WOS:000243052600006 ER PT J AU Aggarwal, MM Ahammed, Z Angelis, ALS Antonenko, V Arefiev, V Astakhov, V Avdeitchikov, V Awes, TC Baba, PVKS Badyal, SK Bathe, S Batiounia, B Bernier, T Bhalla, KB Bhatia, VS Blume, C Bucher, D Busching, H Carlen, L Chattopadhyay, S Decowski, MP Delagrange, H Donni, P Majumdar, MRD El Chenawi, K Dubey, AK Enosawa, K Fokin, S Frolov, V Ganti, MS Garpman, S Gavrishchuk, O Geurts, FJM Ghosh, TK Glasow, R Guskov, B Gustafsson, HA Gutbrod, HH Hrivnacova, I Ippolitov, M Kalechofsky, H Kamermans, R Karadjev, K Karpio, K Kolb, BW Kosarev, I Koutcheryaev, I Kugler, A Kulinich, P Kurata, M Lebedev, A Lohner, H Luquin, L Mahapatra, DP Manko, V Martin, M Martinez, G Maximov, A Miake, Y Mishra, GC Mohanty, B Mora, MJ Morrison, D Mukhanova, T Mukhopadhyay, DS Naef, H Nandi, BK Nayak, SK Nayak, TK Nianine, A Nikitine, V Nikolaev, S Nilsson, P Nishimura, S Nomokonov, P Nystrand, J Oskarsson, A Otterlund, I Pavliouk, S Peitzmann, T Peressounko, D Petracek, V Phatak, SC Pinganaud, W Plasil, F Purschke, ML Rak, J Raniwala, R Raniwala, S Rao, NK Retiere, F Reygers, K Roland, G Rosselet, L Roufanov, I Roy, C Rubio, JM Sambyal, SS Santo, R Sato, S Schlagheck, H Schmidt, HR Schutz, Y Shabratova, G Shah, TH Sibiriak, I Siemiarczuk, T Silvermyr, D Sinha, BC Slavine, N Soderstrom, K Sood, G Sorensen, SP Stankus, P Stefanek, G Steinberg, P Stenlund, E Sumbera, M Svensson, T Tsvetkov, A Tykarski, L von der Pijll, EC Eijndhoven, NV Nieuwenhuizen, GJV Vinogradov, A Viyogi, YP Vodopianov, A Voros, S Wyslouch, B Young, GR AF Aggarwal, M. M. Ahammed, Z. Angelis, A. L. S. Antonenko, V. Arefiev, V. Astakhov, V. Avdeitchikov, V. Awes, T. C. Baba, P. V. K. S. Badyal, S. K. Bathe, S. Batiounia, B. Bernier, T. Bhalla, K. B. Bhatia, V. S. Blume, C. Bucher, D. Buesching, H. Carlen, L. Chattopadhyay, S. Decowski, M. P. Delagrange, H. Donni, P. Majumdar, M. R. Dutta El Chenawi, K. Dubey, A. K. Enosawa, K. Fokin, S. Frolov, V. Ganti, M. S. Garpman, S. Gavrishchuk, O. Geurts, F. J. M. Ghosh, T. K. Glasow, R. Guskov, B. Gustafsson, H. A. Gutbrod, H. H. Hrivnacova, I. Ippolitov, M. Kalechofsky, H. Kamermans, R. Karadjev, K. Karpio, K. Kolb, B. W. Kosarev, I. Koutcheryaev, I. Kugler, A. Kulinich, P. Kurata, M. Lebedev, A. Lohner, H. Luquin, L. Mahapatra, D. P. Manko, V. Martin, M. Martinez, G. Maximov, A. Miake, Y. Mishra, G. C. Mohanty, B. Mora, M.-J. Morrison, D. Mukhanova, T. Mukhopadhyay, D. S. Naef, H. Nandi, B. K. Nayak, S. K. Nayak, T. K. Nianine, A. Nikitine, V. Nikolaev, S. Nilsson, P. Nishimura, S. Nomokonov, P. Nystrand, J. Oskarsson, A. Otterlund, I. Pavliouk, S. Peitzmann, T. Peressounko, D. Petracek, V. Phatak, S. C. Pinganaud, W. Plasil, F. Purschke, M. L. Rak, J. Raniwala, R. Raniwala, S. Rao, N. K. Retiere, F. Reygers, K. Roland, G. Rosselet, L. Roufanov, I. Roy, C. Rubio, J. M. Sambyal, S. S. Santo, R. Sato, S. Schlagheck, H. Schmidt, H.-R. Schutz, Y. Shabratova, G. Shah, T. H. Sibiriak, I. Siemiarczuk, T. Silvermyr, D. Sinha, B. C. Slavine, N. Soderstrom, K. Sood, G. Sorensen, S. P. Stankus, P. Stefanek, G. Steinberg, P. Stenlund, E. Sumbera, M. Svensson, T. Tsvetkov, A. Tykarski, L. v. d. Pijll, E. C. Eijndhoven, N. V. Nieuwenhuizen, G. J. v. Vinogradov, A. Viyogi, Y. P. Vodopianov, A. Voeroes, S. Wyslouch, B. Young, G. R. CA WA98 Collaboration TI Pion freeze-out time in Pb plus Pb collisions at 158 AGeV/c studied via pi(-)/pi(+) and K-/K+ ratios SO EUROPEAN PHYSICAL JOURNAL C LA English DT Article ID HEAVY-ION COLLISIONS; MULTISTEP AVALANCHE CHAMBER; PB+PB COLLISIONS; PARTICLE SPECTRA; PERFORMANCE; VENUS; SIZE AB The effect of the final state Coulomb interaction on particles produced in Pb + Pb collisions at 158AGeV/c has been investigated in the WA98 experiment through the study of the pi(-)/pi(+) and K-/K+ ratios measured as a function of T-m- (m)0. While the ratio for kaons shows no significant T-m dependence, the pi(-)/pi(+) ratio is enhanced at small T-m - (m)0 values with an enhancement that increases with centrality. A silicon pad detector located near the target is used to estimate the contribution of hyperon decays to the pi(-)/pi(+) ratio. The comparison of results with predictions of the RQMD model in which the Coulomb interaction has been incorporated allows to place constraints on the time of the pion freeze-out. C1 Panjab Univ, Chandigarh 160014, India. Bhabha Atom Res Ctr, Ctr Variable Energy Cyclotron, Kolkata 700064, W Bengal, India. Univ Geneva, CH-1211 Geneva 4, Switzerland. RRC Kurchatov Inst, Moscow 123182, Russia. Joint Inst Nucl Res, Dubna 141980, Russia. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Univ Jammu, Jammu 180001, India. Univ Munster, D-48149 Munster, Germany. Ecole Mines, SUBATECH, Nantes, France. Univ Rajasthan, Jaipur 302004, Rajasthan, India. Lund Univ, S-22100 Lund, Sweden. MIT, Cambridge, MA 02139 USA. Inst Phys, Bhubaneswar 751005, Orissa, India. Univ Tsukuba, Tsukuba, Ibaraki 305, Japan. Univ Utrecht, NIKHEF H, NL-3508 TA Utrecht, Netherlands. Univ Groningen, KVI, NL-9747 AA Groningen, Netherlands. GSI Darmstadt, D-64220 Darmstadt, Germany. Acad Sci Czech Republic, Inst Nucl Phys, CZ-25068 Rez, Czech Republic. Inst Nucl Studies, PL-00681 Warsaw, Poland. Univ Tennessee, Knoxville, TN 37966 USA. RP Aggarwal, MM (reprint author), Panjab Univ, Chandigarh 160014, India. EM awes@mail.phy.ornl.gov RI Decowski, Patrick/A-4341-2011; Peitzmann, Thomas/K-2206-2012; Lohner, Herbert/B-2397-2014; Sumbera, Michal/O-7497-2014; Sorensen, Soren /K-1195-2016 OI Peitzmann, Thomas/0000-0002-7116-899X; Lohner, Herbert/0000-0002-7441-739X; Sumbera, Michal/0000-0002-0639-7323; Sorensen, Soren /0000-0002-5595-5643 NR 30 TC 0 Z9 0 U1 0 U2 5 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-6044 EI 1434-6052 J9 EUR PHYS J C JI Eur. Phys. J. C PD NOV PY 2006 VL 48 IS 2 BP 343 EP 352 DI 10.1140/epjc/s10052-006-0081-x PG 10 WC Physics, Particles & Fields SC Physics GA 203YL UT WOS:000249009900002 ER PT J AU Gelis, F Stasto, AM Venugopalan, R AF Gelis, F. Stasto, A. M. Venugopalan, R. TI Limiting fragmentation in hadron-hadron collisions at high energies SO EUROPEAN PHYSICAL JOURNAL C LA English DT Article ID COLOR GLASS CONDENSATE; GLUON DISTRIBUTION-FUNCTIONS; POMERON FAN DIAGRAMS; PLUS AU COLLISIONS; SMALL-X; NONLINEAR EVOLUTION; PERTURBATIVE QCD; CROSS-SECTIONS; LARGE NUCLEI; RENORMALIZATION-GROUP AB Limiting fragmentation in proton-proton, deuteron-nucleus and nucleus-nucleus collisions is analyzed in the framework of the Balitsky-Kovchegov equation in high energy QCD. Good agreement with experimental data is obtained for a wide range of energies. Further detailed tests of limiting fragmentation at RHIC and the LHC will provide insight into the evolution equations for high energy QCD. C1 CEA Saclay, DSM, CNRS, URA 2306,Serv Phys Theor, F-91191 Gif Sur Yvette, France. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. Polish Acad Sci, H Niewodniczanski Inst Nucl Phys, PL-31342 Krakow, Poland. RP Gelis, F (reprint author), CEA Saclay, DSM, CNRS, URA 2306,Serv Phys Theor, Bat 774, F-91191 Gif Sur Yvette, France. EM stasto@quark.phy.bnl.gov NR 84 TC 46 Z9 46 U1 0 U2 3 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-6044 EI 1434-6052 J9 EUR PHYS J C JI Eur. Phys. J. C PD NOV PY 2006 VL 48 IS 2 BP 489 EP 500 DI 10.1140/epjc/s10052-006-0020-x PG 12 WC Physics, Particles & Fields SC Physics GA 203YL UT WOS:000249009900013 ER PT J AU Moretto, LG Bugaev, KA Elliott, JB Phair, L AF Moretto, L. G. Bugaev, K. A. Elliott, J. B. Phair, L. TI The Hagedorn thermostat SO EUROPHYSICS LETTERS LA English DT Article ID RELATIVISTIC HYDRODYNAMICS; FREEZE-OUT; DENSITY; THERMODYNAMICS; MODEL AB At variance with previous understanding, a system H witha Hagedorn-like mass spectrum can sustain the unique temperature T-H encoded in the spectrum itself. H imposes the same temperature to all emitted particles which are then in physical and chemical equilibrium with H and with each other. Coexistence between hadronic and partonic phases is thus completely characterized. This may explain the recurring constant physical and chemical temperature observed in several experiments. The near indifference of H to fragmentation or coalescence makes this approach relevant to heavy-ion and elementary-particle collisions alike. The equation of state for a gas of H systems has been derived. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Nucl Sci, Berkeley, CA 94720 USA. Bogolyubov Inst Theoret Phys, Kiev, Ukraine. RP Moretto, LG (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Nucl Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. NR 14 TC 11 Z9 11 U1 0 U2 0 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 0295-5075 J9 EUROPHYS LETT JI Europhys. Lett. PD NOV PY 2006 VL 76 IS 3 BP 402 EP 408 DI 10.1209/epl/i2006-10280-8 PG 7 WC Physics, Multidisciplinary SC Physics GA 097GE UT WOS:000241434300008 ER PT J AU Nirmala, R Malik, SK Morozkin, AV Yamamoto, Y Hori, H AF Nirmala, R. Malik, S. K. Morozkin, A. V. Yamamoto, Y. Hori, H. TI Large magnetoresistance in intermetallic compounds R2Mn3Si5 (R = Tb, Dy and Ho) SO EUROPHYSICS LETTERS LA English DT Article ID GIANT MAGNETORESISTANCE; TRANSITION; TBMN2SI2 AB Magnetization ( M) and magnetoresistance (MR) measurements on polycrystalline R2Mn3Si5 (R = Tb, Dy and Ho) compounds (tetragonal, space group P4/mnc) have been carried out in the temperature range of 2 K-300 K, in various applied fields. Both, the rare earth and Mn, are found to carry magnetic moments in these compounds. Mn has two sub-lattices (Mn1 and Mn2) that order magnetically at two different temperatures. Rare-earth and Mn1 moments order ferromagnetically at T-C1 whereas Mn2 is found to magnetically order at T-C2 (T-C1 = 89K, 86K, 78K and T-C2 = 18K, 34K, 16K for R = Tb, Dy and Ho compounds, respectively). Magnetoresistance measurements reveal large negative MR values of about 50% near T-C2 at 9T in all these compounds. This giant magnetoresistance is attributed to the spin-dependent scattering effects, competing exchange interactions and the layered structure of these compounds. C1 Tata Inst Fundamental Res, Bombay 400005, Maharashtra, India. Moscow MV Lomonosov State Univ, Dept Chem, Moscow 119992, Russia. RP Malik, SK (reprint author), Iowa State Univ Sci & Technol, Ames Lab, Ames, IA 50011 USA. EM skm@tifr.res.in NR 11 TC 2 Z9 2 U1 0 U2 3 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 0295-5075 J9 EUROPHYS LETT JI Europhys. Lett. PD NOV PY 2006 VL 76 IS 3 BP 471 EP 476 DI 10.1209/epl/i2006-10290-6 PG 6 WC Physics, Multidisciplinary SC Physics GA 097GE UT WOS:000241434300018 ER PT J AU Bollinger, AT Rogachev, A Bezryadin, A AF Bollinger, A. T. Rogachev, A. Bezryadin, A. TI Dichotomy in short superconducting nanowires: Thermal phase slippage vs. Coulomb blockade SO EUROPHYSICS LETTERS LA English DT Article ID TUNNEL-JUNCTIONS; QUANTUM FLUCTUATIONS; JOSEPHSON-JUNCTION; WIRES; SUPPRESSION; CAPACITANCE; TRANSITION; TRANSPORT; SYSTEM; PB AB Quasi-one-dimensional superconductors or nanowires exhibit a transition into a nonsuperconducting regime, as their diameter shrinks. We present measurements on ultrashort nanowires (similar to 40-190nm long) in the vicinity of this quantum transition. Properties of all wires in the superconducting phase, even those close to the transition, can be explained in terms of thermally activated phase slips. The behavior of nanowires in the nonsuperconducting phase agrees with the theories of the Coulomb blockade of coherent transport through mesoscopic normal metal conductors. Thus it is concluded that the quantum transition occurs between two phases: a "true superconducting phase" and an "insulating phase". No intermediate, "metallic" phase was found. C1 Univ Illinois, Dept Phys, Urbana, IL 61801 USA. RP Bollinger, AT (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM bezryadi@uiuc.edu RI Bezryadin, Alexey/H-1815-2016 OI Bezryadin, Alexey/0000-0002-4822-6960 NR 44 TC 32 Z9 32 U1 2 U2 10 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 0295-5075 J9 EUROPHYS LETT JI Europhys. Lett. PD NOV PY 2006 VL 76 IS 3 BP 505 EP 511 DI 10.1209/epl/i2006-10275-5 PG 7 WC Physics, Multidisciplinary SC Physics GA 097GE UT WOS:000241434300023 ER PT J AU Bandi, MM Goldburg, WI Cressman, JR AF Bandi, M. M. Goldburg, W. I. Cressman, J. R., Jr. TI Measurement of entropy production rate in compressible turbulence SO EUROPHYSICS LETTERS LA English DT Article ID FLOW AB The rate of change of entropy. S is measured for a system of particles floating on the surface of a fluid maintained in a turbulent steady state. The resulting coagulation of the floaters allows one to relate. S to the the velocity divergence and to the Lyapunov exponents characterizing the behavior of this system. The quantities measured from experiments and simulations are found to agree well with the theoretical predictions. C1 Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. George Mason Univ, Krasnow Inst, Fairfax, VA 22030 USA. RP Bandi, MM (reprint author), Los Alamos Natl Lab, Ctr Nonlinear Studies, POB 1663, Los Alamos, NM 87545 USA. EM mbandi@lanl.gov RI Cressman, John/F-2819-2013 NR 9 TC 6 Z9 6 U1 0 U2 4 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 0295-5075 J9 EUROPHYS LETT JI Europhys. Lett. PD NOV PY 2006 VL 76 IS 4 BP 595 EP 601 DI 10.1209/epl/i2006-10333-0 PG 7 WC Physics, Multidisciplinary SC Physics GA 108AA UT WOS:000242210900009 ER PT J AU Wright, MS Peltier, GL Stepanauskas, R McArthur, JV AF Wright, Meredith S. Peltier, Gretchen Loeffler Stepanauskas, Ramunas McArthur, J. Vaun TI Bacterial tolerances to metals and antibiotics in metal-contaminated and reference streams SO FEMS MICROBIOLOGY ECOLOGY LA English DT Article DE antibiotic resistance; biofilm; sediment; metals; co-selection; environment ID ANTIMICROBIAL RESISTANCE; PSEUDOMONAS-AERUGINOSA; MERCURY RESISTANCE; HEAVY-METAL; BIOFILMS; ASH; COMMUNITY; PRIMATES; EFFLUENT; INCREASE AB Anthropogenic-derived sources of selection are typically implicated as mechanisms for maintaining antibiotic resistance in the environment. Here we report an additional mechanism for maintaining antibiotic resistance in the environment through bacterial exposure to metals. Using a culture-independent approach, bacteria sampled along a gradient of metal contamination were more tolerant of antibiotics and metals compared to bacteria from a reference site. This evidence supports the hypothesis that metal contamination directly selects for metal tolerant bacteria while co-selecting for antibiotic tolerant bacteria. Additionally, to assess how antibiotic and metal tolerance may be transported through a stream network, we studied antibiotic and metal tolerance patterns over three months in bacteria collected from multiple stream microhabitats including the water column, biofilm, sediment and Corbicula fluminea (Asiatic clam) digestive tracts. Sediment bacteria were the most tolerant to antibiotics and metals, while bacteria from Corbicula were the least tolerant. Differences between microhabitats may be important for identifying reservoirs of resistance and for predicting how these genes are transferred and transported in metal-contaminated streams. Temporal dynamics were not directly correlated to a suite of physicochemical parameters, suggesting that tolerance patterns within microhabitats are linked to a complex interaction of the physicochemical characteristics of the stream. C1 Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. Univ Georgia, Inst Ecol, Athens, GA 30602 USA. Bigelow Lab Ocean Sci, W Boothbay Harbor, ME USA. RP Wright, MS (reprint author), Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. EM mswright@uga.edu OI Stepanauskas, Ramunas/0000-0003-4458-3108 NR 37 TC 55 Z9 61 U1 3 U2 42 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0168-6496 J9 FEMS MICROBIOL ECOL JI FEMS Microbiol. Ecol. PD NOV PY 2006 VL 58 IS 2 BP 293 EP 302 DI 10.1111/j.1574-6941.2006.00154.x PG 10 WC Microbiology SC Microbiology GA 096HF UT WOS:000241367500013 PM 17064270 ER PT J AU Michael, PC Schultz, JH Antaya, TA Ballinger, R Chiesa, L Feng, J Gung, CY Harris, D Kim, JH Lee, P Martovetsky, N Minervini, JV Radovinsky, A Salvetti, M Takayasu, M Titus, P AF Michael, P. C. Schultz, J. H. Antaya, T. A. Ballinger, R. Chiesa, L. Feng, J. Gung, C. -Y Harris, D. Kim, J. -H. Lee, P. Martovetsky, N. Minervini, J. V. Radovinsky, A. Salvetti, M. Takayasu, M. Titus, P. TI Superconducting magnet and conductor research activities in the US fusion program SO FUSION ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 15th International Toki Conference on Fusion and Advanced Technology CY DEC 06-09, 2005 CL Toki City, JAPAN DE superconductor; superconducting magnet; fusion technology ID MODEL COIL; QUADRUPOLE; LDX AB Fusion research in. the United States is sponsored by the Department of Energy's Office of Fusion Energy Sciences (OFES). The OFES sponsors a wide range of programs to advance fusion science, fusion technology, and basic plasma science. Most experimental devices in the US fusion program are constructed using conventional technologies; however, a small portion of the fusion research program is directed towards large scale commercial power generation, which typically relies on superconductor technology to facilitate steady-state operation with high fusion power gain, Q. The superconductor portion of the US fusion research program is limited to a small number of laboratories including the Plasma Science and Fusion Center at MIT, Lawrence Livermore National Laboratory (LLNL), and the Applied Superconductivity Center at University of Wisconsin, Madison. Although Brookhaven National Laboratory (BNL) and Lawrence Berkeley National Laboratory (LBNL) are primarily sponsored by the US's High Energy Physics program, both have made significant contributions to advance the superconductor technology needed for the US fusion program. This paper summarizes recent superconductor activities in the US fusion program. (c) 2006 Elsevier B.V. All rights reserved. C1 MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. Univ Wisconsin, Appl Superconduct Ctr, Madison, WI 53706 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Michael, PC (reprint author), MIT, Plasma Sci & Fus Ctr, 185 Albany St, Cambridge, MA 02139 USA. EM michael@psfc.mit.edu RI Kim, Ji Hyun/F-5704-2010; OI Kim, Ji Hyun/0000-0002-3984-0686; Lee, Peter/0000-0002-8849-8995; Michael, Philip/0000-0003-4906-6169 NR 18 TC 1 Z9 2 U1 0 U2 2 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 J9 FUSION ENG DES JI Fusion Eng. Des. PD NOV PY 2006 VL 81 IS 20-22 BP 2381 EP 2388 DI 10.1016/j.fusengdes.2006.07.023 PG 8 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 113LK UT WOS:000242599200012 ER PT J AU Yamazaki, K Higashiyama, Y Sawafuji, T Sakawa, Y Arimoto, H Shoji, T Garcia, J Dies, J Igitkhanov, Y Dolan, TJ AF Yamazaki, K. Higashiyama, Y. Sawafuji, T. Sakawa, Y. Arimoto, H. Shoji, T. Garcia, J. Dies, J. Igitkhanov, Yu. Dolan, T. J. TI Burning plasma simulation of TR-1 tokamak and HR-1 helical reactors SO FUSION ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 15th International Toki Conference on Fusion and Advanced Technology CY DEC 06-09, 2005 CL Toki, JAPAN DE transport simulation; tokamak reactor; helical reactor; burning plasma; POPCON plot ID ECONOMICS AB For comparative assessment of tokamak and helical reactors, two base case reactor designs with 1 GW electric power output are introduced; high-field high-beta compact tokamak reactor TR-1 (major radius R = 5.2 m, magnetic field B = 7.1 T) and high-beta helical system HR-1 (R = 12.1 m, B = 4.6 T). Operational boundaries of both reactors are compared by the zero-dimensional energy balance model, which clarifies the difference between the higher temperature operational regime of TR-1 and the lower temperature regime of HR-1. These operational scenarios are reconfirmed by the toroidal transport analysis linkage (TOTAL) code coupling with two-dimensional equilibrium in the TOTAL-T tokamak code and three-dimensional equilibrium in the TOTAL-H helical code. The beta effect on confinement degradation and the impurity radiation effect on energy balance are found to make the ignition difficult in both systems. (c) 2006 Elsevier B.V. All fights reserved. C1 Nagoya Univ, Chikusa Ku, Nagoya, Aichi 4648603, Japan. Univ Politecn Cataluna, Barcelona, Spain. EURATOM, IPP, Max Planck Inst Plasma Phys, Greifswald, Germany. Idaho Natl Lab, Idaho Falls, ID USA. RP Yamazaki, K (reprint author), Nagoya Univ, Chikusa Ku, Nagoya, Aichi 4648603, Japan. EM yamazaki@ees.nagoya-u.ac.jp RI Sakawa, Youichi/J-5707-2016 OI Sakawa, Youichi/0000-0003-4165-1048 NR 11 TC 4 Z9 4 U1 0 U2 0 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 EI 1873-7196 J9 FUSION ENG DES JI Fusion Eng. Des. PD NOV PY 2006 VL 81 IS 23-24 SI SI BP 2743 EP 2748 DI 10.1016/j.fusengdes.2006.07.042 PG 6 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 112PU UT WOS:000242539800021 ER PT J AU Greenfield, CM Murakami, M Garofalo, AM Doyle, EJ Ferron, JR Wade, MR Austin, ME Allen, SL Burrell, KH Casper, TA Deboo, JC Gohil, P Gorelov, IA Groebner, RJ Heidbrink, WW Hyatt, AW Jackson, GL Jayakumar, RJ Kajiwara, K Kessel, CE Kinsey, JE Kim, JY La Haye, RJ Lao, LL Lohr, J Luce, TC Luo, Y Makowski, MA Mazon, D Mckee, GR Okabayashi, M Osborne, TH Petty, CC Petrie, TW Pinsker, RI Prater, R Politzer, PA Reimerdes, H Rhodes, TL Sips, ACC Scoville, JT Solomon, WM Staebler, GM John, HES Strait, EJ Taylor, TS Turnbull, AD Van Zeeland, MA Wang, G West, WP Zeng, L AF Greenfield, C. M. Murakami, M. Garofalo, A. M. Doyle, E. J. Ferron, J. R. Wade, M. R. Austin, M. E. Allen, S. L. Burrell, K. H. Casper, T. A. DeBoo, J. C. Gohil, P. Gorelov, I. A. Groebner, R. J. Heidbrink, W. W. Hyatt, A. W. Jackson, G. L. Jayakumar, R. J. Kajiwara, K. Kessel, C. E. Kinsey, J. E. Kim, J. Y. La Haye, R. J. Lao, L. L. Lohr, J. Luce, T. C. Luo, Y. Makowski, M. A. Mazon, D. McKee, G. R. Okabayashi, M. Osborne, T. H. Petty, C. C. Petrie, T. W. Pinsker, R. I. Prater, R. Politzer, P. A. Reimerdes, H. Rhodes, T. L. Sips, A. C. C. Scoville, J. T. Solomon, W. M. Staebler, G. M. John, H. E. St. Strait, E. J. Taylor, T. S. Turnbull, A. D. Van Zeeland, M. A. Wang, G. West, W. P. Zeng, L. CA DIII-D Team TI Progress towards high-performance steady-state operation on DIII-D SO FUSION ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 15th International Toki Conference on Fusion and Advanced Technology CY DEC 06-09, 2005 CL Toki City, JAPAN DE tokamak; steady-state ID INTERNAL TRANSPORT BARRIERS; ADVANCED TOKAMAK; CURRENT PROFILE; PLASMAS; DISCHARGES AB Advanced Tokamak research in DIII-D seeks to develop a scientific basis for steady-state high-performance tokamak operation. Fully noninductive (f(NI) approximate to 100%) in-principle steady-state discharges have been maintained for several confinement times. These plasmas have weak negative central shear with q(min) approximate to 1.5-2, beta(N) approximate to 3.5, and large, well-aligned bootstrap current. The loop voltage is near zero across the entire profile. The remaining current is provided by neutral beam current drive (NBCD) and electron cyclotron current drive (ECCD). Similar plasmas are stationary with f(NI) approximate to 90-95% and duration up to 2s, limited only by hardware. In other experiments, beta(N) approximate to 4 is maintained for 2 s with internal transport barriers, exceeding previously achieved performance under similar conditions. This is allowed by broadened profiles and active magnetohydrodynamic instability control. Modifications now underway on DIII-D are expected to allow extension of these results to higher performance and longer duration. A new pumped divertor will allow density control in high triangularity double-null divertor configurations, facilitating access to similar in-principle steady-state regimes with beta(N) > 4. Additional current drive capabilities, both off-axis ECCD and on-axis fast wave current drive (FWCD), will increase the magnitude, duration, and flexibility of externally driven current. (c) 2006 Elsevier B.V. All rights reserved. C1 Gen Atom Co, San Diego, CA 92186 USA. Oak Ridge Natl Lab, Oak Ridge, TN USA. Columbia Univ, New York, NY USA. Univ Calif Los Angeles, Los Angeles, CA USA. Univ Texas, Austin, TX 78712 USA. Lawrence Livermore Natl Lab, Livermore, CA USA. Univ Calif Irvine, Irvine, CA USA. Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. Lehigh Univ, Bethlehem, PA 18015 USA. Korea Basic Sci Inst, Taejon, South Korea. EURATOM, CEA, CEA Cadarache, St Paul Les Durance, France. Univ Wisconsin, Madison, WI USA. Inst Plasma Phys, Garching, Germany. Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. RP Greenfield, CM (reprint author), Gen Atom Co, POB 85608, San Diego, CA 92186 USA. EM Chuck.Greenfield@fusion.gat.com OI Solomon, Wayne/0000-0002-0902-9876 NR 21 TC 1 Z9 1 U1 0 U2 0 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 J9 FUSION ENG DES JI Fusion Eng. Des. PD NOV PY 2006 VL 81 IS 23-24 SI SI BP 2807 EP 2815 DI 10.1016/j.fusengdes.2006.07.081 PG 9 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 112PU UT WOS:000242539800032 ER PT J AU Valentine, GA Perry, FV Krier, D Keating, GN Kelley, RE Coghill, AH AF Valentine, Greg A. Perry, Frank V. Krier, Don Keating, Gordon N. Kelley, Richard E. Coghill, Allen H. TI Small-volume basaltic volcanoes: Eruptive products and processes, and posteruptive geomorphic evolution in Crater Flat (Pleistocene), southern Nevada SO GEOLOGICAL SOCIETY OF AMERICA BULLETIN LA English DT Article DE scoria cone; basalt; lava flow; polycyclic; monogenetic; Strombolian; violent Strombolian ID RADIOACTIVE-WASTE REPOSITORY; LAVA FLOWS; LATHROP WELLS; CINDER CONES; MOUNT-ETNA; QUATERNARY VOLCANISM; DESERT PAVEMENTS; MOJAVE-DESERT; SCORIA CONES; FIELD AB Five Pleistocene basaltic volcanoes in Crater Flat (southern Nevada) demonstrate the complexity of eruption processes associated with small-volume basalts, and the effects of initial emplacement characteristics on posteruptive geomorphic evolution of the volcanic surfaces. The volcanoes record explosive processes ranging from "classical" Strombolian mechanisms to, potentially, violent Strombolian mechanisms. Cone growth was accompanied and sometimes disrupted by effusion of lavas from the bases of cones. Pyroclastic cones were built upon a gently southward-sloping surface and were prone to failure of their downslope (southern) flanks. Early lavas flowed primarily southward and, at Red and Black Cone volcanoes, carried abundant rafts of cone material on the tops of the flows. These resulting early lava fields eventually built platforms such that later flows erupted from the eastern (at Red Cone) and northern (at Black Cone) bases of the cones. Three major surface features-scoria cones, lava fields with abundant rafts of pyroelastic material, and lava fields with little or no pyroclastic material-experienced different posteruptive surficial processes. Failure to account for the different initial surface features can lead to erroneous conclusions about the relative ages of the surfaces based upon modern morphology. Conversely, the recognition of different volcanic surfaces provides the opportunity to study the effects of different initial properties upon posteruptive geomorphic processes. Contrary to previous interpretations that the individual volcanoes were emplaced by polycyclic eruptions, (separated by thousands or tens of thousands of years), we argue that the Pleistocene Crater Flat volcanoes are monogenetic, each having formed in a single eruptive episode lasting up to a few years. We show that all eruptive products emanated from the areas of the volcanoes' main cones rather than from scattered vents, as inferred by previous workers. These conclusions provide insight into the processes associated with continental basaltic magmatism and information related to the geometry and timing of volcanic events, which is useful in risk assessments. C1 Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87545 USA. RP Valentine, GA (reprint author), Los Alamos Natl Lab, Earth & Environm Sci Div, Mail Stop D462, Los Alamos, NM 87545 USA. EM gav@lanl.gov NR 45 TC 59 Z9 62 U1 1 U2 10 PU GEOLOGICAL SOC AMER, INC PI BOULDER PA PO BOX 9140, BOULDER, CO 80301-9140 USA SN 0016-7606 J9 GEOL SOC AM BULL JI Geol. Soc. Am. Bull. PD NOV-DEC PY 2006 VL 118 IS 11-12 BP 1313 EP 1330 DI 10.1130/B25956.1 PG 18 WC Geosciences, Multidisciplinary SC Geology GA 100YS UT WOS:000241706700003 ER PT J AU Engdahl, ER Jackson, JA Myers, SC Bergman, EA Priestley, K AF Engdahl, E. Robert Jackson, James A. Myers, Stephen C. Bergman, Eric A. Priestley, Keith TI Relocation and assessment of seismicity in the Iran region SO GEOPHYSICAL JOURNAL INTERNATIONAL LA English DT Article DE focal depth; Iran; relocation; seismicity; seismotectonics ID EARTHQUAKE SOURCE PARAMETERS; SOUTH CASPIAN BASIN; HIGH-SPEED COMPUTER; DECEMBER 26 BAM; ACTIVE TECTONICS; FOCAL DEPTHS; CONTINENTAL LITHOSPHERE; CRUSTAL STRUCTURE; ZAGROS MOUNTAINS; RUPTURE PROCESS AB More than 2000 instrumentally recorded earthquakes occurring in the Iran region during the period 1918-2004 have been relocated and reassessed, with special attention to focal depth, using an advanced technique for 1-D earthquake location. A careful review of starting depths, association of teleseismic depth phases, and the effects of reading errors on these phases are made and, when necessary, waveforms have been examined to better constrain EHB focal depths. Uncertainties in EHB epicentres are on the order of 10-15 km in the Iran region, owing to the Earth's lateral heterogeneity and uneven station distribution. Uncertainties of reviewed EHB focal depth estimates are on the order of 10 km, as compared to about 4 km for long-period P and SH body-waveform inversions. Nevertheless, these EHB depth estimates are sufficiently accurate to resolve robust differences in focal depth distribution throughout the Iran region and, within their errors, show patterns that are in agreement with the smaller number of earthquakes whose depths have been confirmed by body-wave modelling or local seismic networks. The importance of this result is that future earthquakes with apparently anomalous depths can easily be identified, and checked, if necessary. Most earthquakes in the Iranian continental lithosphere occur in the upper crust, with the crustal shortening produced by continental collision accommodated entirely by thickening and distributed deformation. In the Zagros Mountains nearly all earthquakes are confined to the upper crust (depths < 20 km), and there is no evidence for a seismically active subducted slab dipping NE beneath central Iran. By contrast, in southeastern Iran, where the Arabian seafloor is being subducted beneath the Makran coast, low-level earthquake activity occurs in the upper crust as well as to depths of at least 150 km within a northward-dipping subducting slab. Near the Oman Line, a region transitional between the Zagros and the Makran, seismicity extends to depths of up to 30-45 km in the crust, consistent with low-angle thrusting of Arabian basement beneath central Iran. In north-central Iran, along the Alborz mountain belt, seismic activity occurs primarily in the upper crust but with some infrequent events in the lower crust, particularly in the western part of the belt (the Talesh), where the South Caspian basin underthrusts NW Iran. Earthquakes that occur in a band across the central Caspian, following the Apscheron-Balkhan sill between Azerbaijan and Turkmenistan, have depths in the range 30-100 km, deepening northwards. These are thought to be connected with either incipient or remnant northeast subduction of the South Caspian basin basement beneath the east-west trending Apscheron-Balkhan sill. Curiously, in this region of genuine mantle seismicity, there is no evidence for earthquakes shallower than 30 km. C1 Univ Colorado, Ctr Imaging Earths Interior, Dept Phys, Boulder, CO 80309 USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Bullard Labs, Cambridge CB3 0EZ, England. RP Engdahl, ER (reprint author), Univ Colorado, Ctr Imaging Earths Interior, Dept Phys, Boulder, CO 80309 USA. EM engdahl@colorado.edu RI NCEO, COMET+`/A-3443-2013; Myers, Stephen/K-1368-2014 OI Myers, Stephen/0000-0002-0315-5599 NR 63 TC 132 Z9 132 U1 0 U2 8 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0956-540X J9 GEOPHYS J INT JI Geophys. J. Int. PD NOV PY 2006 VL 167 IS 2 BP 761 EP 778 DI 10.1111/j.1365-246X.2006.03127.x PG 18 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 101UR UT WOS:000241766800025 ER PT J AU Boutt, DF Grasselli, G Fredrich, JT Cook, BK Williams, JR AF Boutt, David F. Grasselli, Giovanni Fredrich, Joanne T. Cook, Benjamin K. Williams, John R. TI Trapping zones: The effect of fracture roughness on the directional anisotropy of fluid flow and colloid transport in a single fracture SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID CUBIC LAW; MIGRATION EXPERIMENTS; GRANITE FRACTURE; ROCK FRACTURES; SURFACE-ROUGHNESS; JOINTS AB In this paper we quantify the influence of geometry and distribution of surface roughness to the directional anisotropy of fluid flow and transport properties of a single fracture. Roughness of fractures appears to have first order control on how they behave mechanically and hydraulically. We directly quantified the surface roughness of a single fracture using high-resolution laser scanning confocal microscopy. This roughness was input into directly coupled numerical models of fluid flow and transport. We simulated the transport of colloids (microspheres) through the fracture. We found tailing in the breakthrough and sensitivity of the breakthrough to flow direction in the fracture. Microspheres were observed to be trapped in low velocity zones on the lee side of fracture walls. This was not observed in smooth or sinusoidal varying fracture wall geometries. These observations have significant implications for quantifying the transport of dissolved and solid phase materials (colloids) through fractured rock. C1 Univ Massachusetts, Dept Geosci, Amherst, MA 01003 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. Univ Toronto, Dept Civil Engn, Toronto, ON M5S 1A4, Canada. MIT, Dept Civil & Environm Engn, Cambridge, MA 02139 USA. RP Boutt, DF (reprint author), Univ Massachusetts, Dept Geosci, Amherst, MA 01003 USA. EM dboutt@geo.umass.edu RI Boutt, David/G-1146-2010; Grasselli, Giovanni/A-8846-2010 NR 23 TC 36 Z9 36 U1 0 U2 8 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0094-8276 J9 GEOPHYS RES LETT JI Geophys. Res. Lett. PD NOV 1 PY 2006 VL 33 IS 21 AR L21402 DI 10.1029/2006GL027275 PG 6 WC Geosciences, Multidisciplinary SC Geology GA 103DK UT WOS:000241865700003 ER PT J AU Pierce, DW Barnett, TP Fetzer, EJ Gleckler, PJ AF Pierce, David W. Barnett, Tim P. Fetzer, Eric J. Gleckler, Peter J. TI Three-dimensional tropospheric water vapor in coupled climate models compared with observations from the AIRS satellite system SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID SIMULATIONS; HUMIDITY; FEEDBACK AB Changes in the distribution of water vapor in response to anthropogenic forcing will be a major factor determining the warming the Earth experiences over the next century, so it is important to validate climate models' distribution of water vapor. In this work the three-dimensional distribution of specific humidity in state-of-the-art climate models is compared to measurements from the AIRS satellite system. We find the majority of models have a pattern of drier than observed conditions (by 10-25%) in the tropics below 800 hPa, but 25-100% too moist conditions between 300 and 600 hPa, especially in the extra-tropics. Analysis of the accuracy and sampling biases of the AIRS measurements suggests that these differences are due to systematic model errors, which might affect the model-estimated range of climate warming anticipated over the next century. C1 Univ Calif San Diego, Scripps Inst Oceanog, Div Climate Res, La Jolla, CA 92093 USA. CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. Lawrence Livermore Natl Lab, Program Climat Model Diag & Intercomparison, Livermore, CA 94550 USA. RP Pierce, DW (reprint author), Univ Calif San Diego, Scripps Inst Oceanog, Div Climate Res, Mail Stop 0224, La Jolla, CA 92093 USA. EM dpierce@ucsd.edu RI Gleckler, Peter/H-4762-2012 OI Gleckler, Peter/0000-0003-2816-6224 NR 20 TC 35 Z9 35 U1 0 U2 3 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0094-8276 J9 GEOPHYS RES LETT JI Geophys. Res. Lett. PD NOV 1 PY 2006 VL 33 IS 21 AR L21701 DI 10.1029/2006GL027060 PG 5 WC Geosciences, Multidisciplinary SC Geology GA 103DK UT WOS:000241865700002 ER PT J AU Huang, HP Cogbill, A AF Huang, Haoping Cogbill, Allen TI Repeatability study of helicopter-borne electromagnetic data SO GEOPHYSICS LA English DT Article ID AIRBORNE RESISTIVITY AB Helicopter-borne electromagnetic (EM) responses depend very much upon the altitude and plan-view flight path, especially when the resistivity of the terrain's materials varies laterally and/or vertically. Spatially consistent flight paths are required for repeatability analysis of the EM data. Caution should be used in examining the repeatability of the EM data because poor repeatability could result from spatially inconsistent flight paths. However, the apparent resistivity converted from the EM responses is virtually independent of the sensor altitude and directly reflects variations in the resistivity. Therefore, more meaningful repeatability analyses are achieved if the apparent resistivity is used instead of the EM response itself. We have analyzed 32 flights over a control line by using the EM amplitude, the phase, and the apparent resistivity. Our results show that the crosscorrelation for all 496 paired combinations of flights is better for the apparent resistivity than for the EM amplitude or phase. The apparent-resistivity data have average correlation coefficients from 0.89 to 0.94 as the frequency increases, whereas the amplitude and the phase data have average correlation coefficients from 0.78 to 0.85 without obvious frequency dependency. C1 Los Alamos Natl Lab, Geophys Grp, Los Alamos, NM 87545 USA. EM haoping_huang@hotmail.com; ahc@lanl.gov NR 12 TC 1 Z9 1 U1 0 U2 0 PU SOC EXPLORATION GEOPHYSICISTS PI TULSA PA 8801 S YALE ST, TULSA, OK 74137 USA SN 0016-8033 J9 GEOPHYSICS JI Geophysics PD NOV-DEC PY 2006 VL 71 IS 6 BP G285 EP G290 DI 10.1190/1.2353797 PG 6 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 113LE UT WOS:000242598600026 ER PT J AU Key, K Weiss, C AF Key, Kerry Weiss, Chester TI Adaptive finite-element modeling using unstructured grids: The 2D magnetotelluric example SO GEOPHYSICS LA English DT Article ID SEA-FLOOR TOPOGRAPHY; ELECTROMAGNETIC INDUCTION; POLARIZATION CALCULATIONS; ERROR ESTIMATORS; INVERSION; EQUATIONS AB Existing numerical modeling techniques commonly used for electromagnetic (EM) exploration are bound by the limitations of approximating complex structures using a rectangular grid. A more flexible tool is the adaptive finite-element (FE) method using unstructured grids. Composed of irregular triangles, an unstructured grid can readily conform to complicated structural boundaries. To ensure numerical accuracy, adaptive refinement using an a posteriori error estimator is performed iteratively to refine the grid where solution accuracy is insufficient. Two recently developed asymptotically exact a posteriori error estimators are based on a superconvergent gradient recovery operator. The first relies solely on the normed difference between the recovered gradients and the piecewise constant FE gradients and is effective for lowering the global error in the FE solution. For many problems, an accurate solution is required only in a few discrete regions and a more efficient error estimator is possible by considering the local influence of errors from coarse elements elsewhere in the grid. The second error estimator accomplishes this by using weights determined from the solution to an appropriate dual problem to modify the first error estimator. Application of these methods for 2D magnetotelluric (MT) modeling reveals, as expected, that the dual weighted error estimator is far more efficient in achieving accurate MT responses. Refining about 15% of elements per iteration gives the fastest convergence rate. For a given refined grid, the solution error at higher frequencies varies in proportion to the skin depth, requiring refinement about every two decades of frequency. The transverse electric (TE) and transverse magnetic (TM) modes exhibit different field behavior, and refinement should consider the effects of both. An example resistivity model of seafloor bathymetry underlain by complex salt intrusions and dipping and faulted sedimentary layers illustrates the benefits of this new technique. C1 Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA. Sandia Natl Labs, Dept Geophys, Albuquerque, NM 87185 USA. RP Key, K (reprint author), Univ Calif San Diego, Scripps Inst Oceanog, 9500 Gilman Dr, La Jolla, CA 92093 USA. EM kkey@ucsd.edu; cjweiss@sandia.gov RI Key, Kerry/B-1092-2008 NR 26 TC 44 Z9 50 U1 1 U2 15 PU SOC EXPLORATION GEOPHYSICISTS PI TULSA PA 8801 S YALE ST, TULSA, OK 74137 USA SN 0016-8033 J9 GEOPHYSICS JI Geophysics PD NOV-DEC PY 2006 VL 71 IS 6 BP G291 EP G299 DI 10.1190/1.2348091 PG 9 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 113LE UT WOS:000242598600027 ER PT J AU Weiss, CJ Constable, S AF Weiss, Chester J. Constable, Steven TI Mapping thin resistors and hydrocarbons with marine EM methods, part II - Modeling and analysis in 3D SO GEOPHYSICS LA English DT Article ID FINITE-DIFFERENCE; MAXWELLS EQUATIONS; NUMERICAL-SOLUTION; FLOOR; SYSTEM; VOLUME; EXPLORATION; MAGNETOTELLURICS; ELECTROMAGNETICS; ANISOTROPY AB The electromagnetic fields surrounding a thin, subseabed resistive disk in response to a deep-towed, time-harmonic electric dipole antenna are investigated using a newly developed 3D Cartesian, staggered-grid modeling algorithm. We demonstrate that finite-difference and finite-volume methods for solving the governing curl-curl equation yield identical, complex-symmetric coefficient matrices for the resulting N X N linear system of equations. However, the finite-volume approach-has an advantage in that it naturally admits quadrature integration methods for accurate representation of highly compact or exponentially varying source terms constituting the right side of the resulting linear system of equations. This linear system is solved using a coupled two-term recurrence, quasi-minimal residual algorithm that does not require explicit storage of the coefficient matrix, thus reducing storage costs from 22N to ION complex, double-precision words with no decrease in computational performance. The disk model serves as a generalized representation of any number of resistive targets in the marine environment, including basaltic sills, carbonates, and stratigraphic hydrocarbon traps. We show that spatial variations in electromagnetic phase computed over the target are sensitive to the disk boundaries and depth, thus providing a useful complement to the usual amplitude-versus-offset analysis. Furthermore, we estimate through the calculation of Frechet sensitivity kernels those regions of the 3D model which have the greatest effect on seafloor electric fields for a given source/receiver configuration. The results show that conductivity variations within the resistive disk have a stronger influence on the observed signal than do variations in the surrounding sediment conductivity at depth. C1 Sandia Natl Labs, Dept Geophys, Albuquerque, NM 87185 USA. Univ Calif San Diego, Scripps Inst Oceanog, Inst Geophys & Planetary Phys, La Jolla, CA 92093 USA. RP Weiss, CJ (reprint author), Sandia Natl Labs, Dept Geophys, POB 5800,MS-0750, Albuquerque, NM 87185 USA. EM cjweiss@sandia.gov; sconstable@ucsd.edu RI Constable, Steven/B-8959-2008 NR 50 TC 57 Z9 61 U1 1 U2 7 PU SOC EXPLORATION GEOPHYSICISTS PI TULSA PA 8801 S YALE ST, TULSA, OK 74137 USA SN 0016-8033 J9 GEOPHYSICS JI Geophysics PD NOV-DEC PY 2006 VL 71 IS 6 BP G321 EP G332 DI 10.1190/1.2356908 PG 12 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 113LE UT WOS:000242598600030 ER PT J AU Haines, SS Pride, SR AF Haines, Seth S. Pride, Steven R. TI Seismoelectric numerical modeling on a grid SO GEOPHYSICS LA English DT Article ID POROUS-MEDIA; FIELD-MEASUREMENTS; WAVE-EQUATIONS; BOUNDARY AB Our finite-difference algorithm provides a new method for simulating how seismic waves in arbitrarily heterogeneous porous media generate electric fields through an electrokinetic mechanism called seismoelectric coupling. As the first step in our simulations, we calculate relative pore-fluid/grain-matrix displacement by using existing poroelastic theory. We then calculate the electric current resulting from the grain/fluid displacement by using seismoelectric coupling theory. This electrofiltration current acts as a source term in Poisson's equation, which then allows us to calculate the electric potential distribution. We can safely neglect induction effects in our simulations because the model area is within the electrostatic near field for the depth of investigation (tens to hundreds of meters) and the frequency ranges (10 Hz to 1 kHz) of interest for shallow seismoelectric surveys. We can independently calculate the electric-potential distribution for each time step in the poroelastic simulation without loss of accuracy because electro-osmotic feedback (fluid flow that is perturbed by generated electric fields) is at least 105 times smaller than flow that is driven by fluid-pressure gradients and matrix acceleration, and is therefore negligible. Our simulations demonstrate that, distinct from seismic reflections, the seismoelectric interface response from a thin layer (at least as thin as one-twentieth of the seismic wavelength) is considerably stronger than the response from a single interface. We find that the interface response amplitude decreases as the lateral extent of a layer decreases below the width of the first Fresnel zone. We conclude, on the basis of our modeling results and of field results published elsewhere, that downhole and/or crosswell survey geometries and time-lapse applications are particularly well suited to the seismoelectric method. C1 US Geol Survey, Lakewood, CO 80225 USA. Stanford Univ, Dept Geophys, Stanford, CA 94305 USA. Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Haines, SS (reprint author), US Geol Survey, Box 25046,Ms 964, Lakewood, CO 80225 USA. EM shaines@usgs.gov; srpride@lbl.gov NR 30 TC 32 Z9 33 U1 0 U2 4 PU SOC EXPLORATION GEOPHYSICISTS PI TULSA PA 8801 S YALE ST, TULSA, OK 74137 USA SN 0016-8033 J9 GEOPHYSICS JI Geophysics PD NOV-DEC PY 2006 VL 71 IS 6 BP N57 EP N65 DI 10.1190/1.2357789 PG 9 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 113LE UT WOS:000242598600041 ER PT J AU Hou, ZS Rubin, Y Hoversten, GM Vasco, D Chen, JS AF Hou, Zhangshuan Rubin, Yoram Hoversten, G. Michael Vasco, Don Chen, Jinsong TI Reservoir-parameter identification using minimum relative entropy-based Bayesian inversion of seismic AVA and marine CSEM data SO GEOPHYSICS LA English DT Article ID PRESSURE AB A stochastic joint-inversion approach for estimating reservoir-fluid saturations and porosity is proposed. The approach couples seismic amplitude variation with angle (AVA) and marine controlled-source electromagnetic (CSEM) forward models into a Bayesian framework, which allows for integration of complementary information. To obtain minimally subjective prior probabilities required for the Bayesian approach, the principle of minimum relative entropy (MRE) is employed. Instead of single-value estimates provided by deterministic methods, the approach gives a probability distribution for any unknown parameter of interest, such as reservoir-fluid saturations or porosity at various locations. The distribution means, modes, and confidence intervals can be calculated, providing a more complete understanding of the uncertainty in the parameter estimates. The approach is demonstrated using synthetic and field data sets. Results show that joint inversion using seismic and EM data gives better estimates of reservoir parameters than estimates from either geophysical data set used in isolation. Moreover, a more informative prior leads to much narrower predictive intervals of the target parameters, with mean values of the posterior distributions closer to logged values. C1 Univ Calif Berkeley, Berkeley, CA 94706 USA. Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Hou, ZS (reprint author), Univ Calif Berkeley, 627 Davis Hall, Berkeley, CA 94706 USA. EM hou@berkeley.edu; rubin@ce.berkeley.edu; gmhoversten@lbl.gov; dwvasco@lbl.gov; jchen@lbl.gov RI Chen, Jinsong/A-1374-2009; Hou, Zhangshuan/B-1546-2014; Vasco, Donald/I-3167-2016 OI Hou, Zhangshuan/0000-0002-9388-6060; Vasco, Donald/0000-0003-1210-8628 NR 24 TC 16 Z9 16 U1 1 U2 9 PU SOC EXPLORATION GEOPHYSICISTS PI TULSA PA 8801 S YALE ST, TULSA, OK 74137 USA SN 0016-8033 J9 GEOPHYSICS JI Geophysics PD NOV-DEC PY 2006 VL 71 IS 6 BP O77 EP O88 DI 10.1190/1.2348770 PG 12 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 113LE UT WOS:000242598600042 ER PT J AU Liu, Q Edwards, NT Post, WM Gu, L Ledford, J Lenhart, S AF Liu, Q. Edwards, N. T. Post, W. M. Gu, L. Ledford, J. Lenhart, S. TI Temperature-independent diel variation in soil respiration observed from a temperate deciduous forest SO GLOBAL CHANGE BIOLOGY LA English DT Article DE Free air CO(2) enrichment (FACE); soil respiration; temperature response ID ECOSYSTEM RESPIRATION; TREE PHOTOSYNTHESIS; ATMOSPHERIC CO2; WATER CONTENT; CARBON; ROOT; VEGETATION; STORAGE; C-13; DECOMPOSITION AB The response of soil respiration (R(s)) to temperature depends largely on the temporal and spatial scales of interest and how other environmental factors interact with this response. They are often represented by empirical exponential equations in many ecosystem analyses because of the difficulties in separating covarying environmental responses and in observing below ground processes. The objective of this study was to quantify a soil temperature-independent component in R(s) by examining the diel variation of an R(s) time series measured in a temperate deciduous forest located at Oak Ridge, TN, USA between March and December 2003. By fitting 2 hourly, continuous automatic chamber measurements of CO(2) efflux at the soil surface to a Q(10) function to obtain the temperature-dependent respiration (R(t)) and plotting the diel cycles of R(t), R(s), and their difference (R(i)), we found that an obvious temperature-independent component exists in R(s) during the growing season. The diel cycle of this component has a distinct day/night pattern and agrees well with diel variations in photosynthetically active radiation (PAR) and air temperature. Elevated canopy CO(2) concentration resulted in similar patterns in the diel cycle of the temperature-independent component but with different daily average rates in different stages of growing season. We speculate that photosynthesis of the stand is one of the main contributors to this temperature-independent respiration component although more experiments are needed to draw a firm conclusion. We also found that despite its relatively small magnitude compared with the temperature-dependent component, the diel variation in the temperature-independent component can lead to significantly different estimates of the temperature sensitivity of soil respiration in the study forest. As a result, the common practice of using fitted temperature-dependent function from night-time measurements to extrapolate soil respiration during the daytime may underestimate daytime soil respiration. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Univ Tennessee, Dept Math, Knoxville, TN 37996 USA. RP Liu, Q (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM qing.liu@eas.gatech.edu RI Post, Wilfred/B-8959-2012; Gu, Lianhong/H-8241-2014 OI Gu, Lianhong/0000-0001-5756-8738 NR 38 TC 81 Z9 98 U1 3 U2 36 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1354-1013 J9 GLOBAL CHANGE BIOL JI Glob. Change Biol. PD NOV PY 2006 VL 12 IS 11 BP 2136 EP 2145 DI 10.1111/j.1365-2486.2006.01245.x PG 10 WC Biodiversity Conservation; Ecology; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 094MB UT WOS:000241242400010 ER PT J AU Chavan, M Li, GT Chen, ZQ Li, HL Schindelin, H Lennarz, WJ AF Chavan, Manasi Li, Guangtao Chen, Zhiqiang Li, Huilin Schindelin, Hermann Lennarz, William J. TI A key enzyme in protein N-glycosylation: Oligosaccharyl transferase SO GLYCOBIOLOGY LA English DT Meeting Abstract CT Meeting of the Society-for-Gylcobiology CY NOV 15-19, 2006 CL Universal City, CA SP Soc Gylcobiol C1 SUNY Stony Brook, Stony Brook, NY 11794 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. Univ Wurzburg, D-97070 Wurzburg, Germany. NR 0 TC 0 Z9 0 U1 0 U2 0 PU OXFORD UNIV PRESS INC PI CARY PA JOURNALS DEPT, 2001 EVANS RD, CARY, NC 27513 USA SN 0959-6658 J9 GLYCOBIOLOGY JI Glycobiology PD NOV PY 2006 VL 16 IS 11 MA 9 BP 1106 EP 1106 PG 1 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 092JR UT WOS:000241093300017 ER PT J AU Zyvoloski, GA Vesselinov, VV AF Zyvoloski, George A. Vesselinov, Velimir V. TI An investigation of numerical grid effects in parameter estimation SO GROUND WATER LA English DT Article ID YUCCA MOUNTAIN; ZONE FLOW; MODEL; CALIBRATION; TRANSPORT; AQUIFER; SCALE AB Modern ground water characterization and remediation projects routinely require calibration and inverse analysis of large three-dimensional numerical models of complex hydrogeological systems. Hydrogeologic complexity can be prompted by various aquifer characteristics including complicated spatial hydrostratigraphy and aquifer recharge from infiltration through an unsaturated zone. To keep the numerical models computationally efficient, compromises are frequently made in the model development, particularly, about resolution of the computational grid and numerical representation of the governing flow equation. The compromise is required so that the model can be used in calibration, parameter estimation, performance assessment, and analysis of sensitivity and uncertainty in model predictions. However, grid properties and resolution as well as applied computational schemes can have large effects on forward-model predictions and on inverse parameter estimates. We investigate these effects for a series of one- and two-dimensional synthetic cases representing saturated and variably saturated flow problems. We show that "conformable" grids, despite neglecting terms in the numerical formulation, can lead to accurate solutions of problems with complex hydrostratigraphy. Our analysis also demonstrates that, despite slower computer run times and higher memory requirements for a given problem size, the control volume finite-element method showed an advantage over finite-difference techniques in accuracy of parameter estimation for a given grid resolution for most of the test problems. C1 Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87545 USA. RP Zyvoloski, GA (reprint author), Los Alamos Natl Lab, Earth & Environm Sci Div, POB 1663, Los Alamos, NM 87545 USA. EM gaz@lanl.gov; vvv@lanl.gov RI Vesselinov, Velimir/P-4724-2016 OI Vesselinov, Velimir/0000-0002-6222-0530 NR 30 TC 8 Z9 8 U1 0 U2 6 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0017-467X J9 GROUND WATER JI Ground Water PD NOV-DEC PY 2006 VL 44 IS 6 BP 814 EP 825 DI 10.1111/j.1745-6584.2006.00203.x PG 12 WC Geosciences, Multidisciplinary; Water Resources SC Geology; Water Resources GA 099UU UT WOS:000241622600009 PM 17087753 ER PT J AU Chen, SY AF Chen, S. Y. TI Managing the disposition of potentially radioactive scrap metal SO HEALTH PHYSICS LA English DT Article; Proceedings Paper CT 41st Annual Meeting of the National-Council-on-Radiation-Protection-and-Measurements CY MAR 30-31, 2005 CL Arlington, VA SP Natl Council Radiat Protect & Measurement DE National Council on Radiation Protection and Measurements; waste management; waste, low-level; waste disposal AB In 2002, the National Council on Radiation Protection and Measurements (NCRP) issued Report No. 141, Managing Potentially Radioactive Scrap Metal. The report evaluates management policy and related issues regarding scrap metal generated in regulated facilities that have been under radiological control or have radiological concerns. It has been estimated that more than 9 million metric tons of scrap metal of all types that have been associated with the production or use of radioactive materials will be generated during the coming decades at various facilities across the United States. Currently, disposition of such metal has encountered particular obstacles, primarily because of the lack of a consistent disposition policy, systematic regulatory provisions, and, above all, public understanding. Without clarity in the regulatory passage, much of the scrap metal, including metal that has not been contaminated, could be mischaracterized as low-level radioactive waste, resulting in a costly disposition operation. NOW Report No. 141 identifies this general category of metal as "potentially radioactive scrap metal" (PRSM) and discusses the viable disposition options for facilitating its management. Because much of the PRSM has been found to contain very low residual radioactivity or even none at all, one consideration is to release such metal outside of the radiological control framework. This would require the development and implementation of a set of strict release standards in the United States that would necessarily be risk-based and supported by a comprehensive management scheme. Developing a policy of this kind, however, would entail the resolution of many issues, not the least of which would be public acceptance, including that of the metal industry, of the possible recycling of PRSM in the general commerce. C1 Argonne Natl Lab, Argonne, IL 60439 USA. RP Chen, SY (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM sychen@anl.gov NR 25 TC 1 Z9 1 U1 0 U2 0 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0017-9078 EI 1538-5159 J9 HEALTH PHYS JI Health Phys. PD NOV PY 2006 VL 91 IS 5 BP 461 EP 469 DI 10.1097/01.HP.0000232854.47536.df PG 9 WC Environmental Sciences; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 097CA UT WOS:000241422700008 PM 17033456 ER PT J AU Wallo, A Domotor, S Vazquez, G AF Wallo, A. Domotor, S. Vazquez, G. TI US department of energy policies, directives, and guidance for radiological control and release of property SO HEALTH PHYSICS LA English DT Article; Proceedings Paper CT 41st Annual Meeting of the National-Council-on-Radiation-Protection-and-Measurements CY MAR 30-31, 2005 CL Arlington, VA SP Natl Council Radiat Protect & Measurement DE National Council on Radiation Protection and Measurements; regulations; radiation protection; dose assessment AB U.S. Department of Energy (U.S. DOE) regulates its operations with a system of rules, directives, and guidance under the Atomic Energy Act. U.S. DOE's policy is to conduct its radiological operations in a manner that ensures the health and safety of its employees, contractors, and the public. U.S. DOE uses an annual dose limit of 100 mrern (1mSv) with an 66as low as reasonably achievable" (ALARA) process to achieve radiological protection. The primary directive for radiation protection of the public and the environment is DOE Order 5400.5. It contains requirements for the protection of the public and the environment from routine operations, including controlling and releasing property. Since the publication of Order 5400.5 in 1990, U.S. DOE has issued guidance for meeting requirements under it; Guide G 441.1-xx consolidates this guidance. DOE applies a dose constraint of 25 mrem y(-1) (0.25 mSy y(-1)), plus ALARA, for the release of real property, and 1 mrem y(-1), plus ALARA, for release of personal property. Models and guidance to develop the needed documentation for release of property are easily available and userfriendly. While achieving protection of human health and the environment, U.S. DOE's dose-based release process has resulted in significant cost savings. U.S. DOE has recently adopted a management systems approach for general environmental and public protection programs. The integration of the radiation protection program into this new approach is a high priority. C1 US DOE, Off Air Water & Radiat Protect Policy & Guidance, Washington, DC 20585 USA. RP Wallo, A (reprint author), US DOE, Off Air Water & Radiat Protect Policy & Guidance, EH-41,1000 Independence Ave SW,Room GA-098, Washington, DC 20585 USA. EM andrew.wallo@hq.doe.gov NR 6 TC 1 Z9 1 U1 0 U2 2 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0017-9078 EI 1538-5159 J9 HEALTH PHYS JI Health Phys. PD NOV PY 2006 VL 91 IS 5 BP 526 EP 528 DI 10.1097/01.HP.0000232649.16529.95 PG 3 WC Environmental Sciences; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 097CA UT WOS:000241422700020 PM 17033468 ER PT J AU Eremenko, VA Droppo, JG AF Eremenko, V. A. Droppo, Jr J. G. TI A personal experience reducing radiation exposures: protecting family in Kiev during the first two weeks after Chernobyl.(vol 91, pg S39, 2006) SO HEALTH PHYSICS LA English DT Correction C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Eremenko, VA (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. NR 1 TC 0 Z9 0 U1 0 U2 1 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0017-9078 EI 1538-5159 J9 HEALTH PHYS JI Health Phys. PD NOV PY 2006 VL 91 IS 5 SU S BP S92 EP S92 PG 1 WC Environmental Sciences; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 099AG UT WOS:000241564300011 ER PT J AU Rolph, J AF Rolph, Jim TI Effect of geotropism on instrument readings SO HEALTH PHYSICS LA English DT Article DE operational topic; survey meter; occupational safety; calibration AB Geotropism is air analog meter's response due to orientation in a gravitational field whether radiation is present or not. For a conventional analog meter, tire geotropic response is reflected in tire movement of the meter needle. Geotropism is not relevant for digital portable survey (e.g., liquid crystal displays) or stationary bench top meters. The degree of geotropism must be evaluated during type testing and routine calibration when dealing with portable survey instruments. Geotropism is defined in ANTSI INT323-1978, ANSIN323A-1997, and ANSI N42.17A-2003 as a change in instrument reading with a change in instrument orientation as a result of gravitational effects. Ideally, tire manufacturer when selecting a meter movement for a particular portable survey instrument application considers geotropism in their selection. However, simply employing high quality meters in the manufacture of instruments is not sufficient, since survey meters may be damaged to the point that geotropism may be exhibited. Awareness of geotropism and tire ability to recognize its occurrence are invaluable to radiation protection technologists, especially those who calibrate or evaluate survey instruments in tire course of doing their job. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Rolph, J (reprint author), Pacific NW Natl Lab, MS P7-01,902 Battelle Blvd,POB 999, Richland, WA 99352 USA. EM james.rolph@pnl.gov NR 4 TC 1 Z9 1 U1 0 U2 0 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0017-9078 EI 1538-5159 J9 HEALTH PHYS JI Health Phys. PD NOV PY 2006 VL 91 IS 5 SU S BP S55 EP S58 DI 10.1097/01.HP.0000232777.11919.1f PG 4 WC Environmental Sciences; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 099AG UT WOS:000241564300004 PM 17023799 ER PT J AU Kuiken, C Combet, C Bukh, J Shin-I, T Deleage, G Mizokami, M Richardson, R Sablon, E Yusim, K Pawlotsky, JM Simmonds, P AF Kuiken, Carla Combet, Christophe Bukh, Jens Shin, Tadasu, I Deleage, Gilbert Mizokami, Masashi Richardson, Russell Sablon, Envin Yusim, Karina Pawlotsky, Jean-Michel Simmonds, Peter CA Los Alamos HIV database grp TI A comprehensive system for consistent numbering of HCV sequences, proteins and epitopes SO HEPATOLOGY LA English DT Article ID HEPATITIS-C VIRUS; CHIMPANZEE C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Lyon 1, IBCP, UMR5086, CNRS, F-69365 Lyon, France. BioSci Lyon Gerland, IFR128, Lyon, France. Univ Paris 12, Hop Henri Mondor, Dept Virol, F-94010 Creteil, France. Univ Paris 12, Hop Henri Mondor, INSERM U635, F-94010 Creteil, France. NIAID, Hepatitis Viruses Sect, Infect Dis Lab, NIH, Bethesda, MD USA. Hvidovre Univ Hosp, Dept Infect Dis, Copenhagen, Denmark. Nagoya City Univ, Grad Sch Med Sci, Dept Clin Mol Informat Med, Nagoya, Aichi, Japan. Innogenet NV, Ghent, Belgium. Univ Edinburgh, Ctr Infect Dis, Edinburgh, Midlothian, Scotland. RP Kuiken, C (reprint author), Los Alamos Natl Lab, MS K710, Los Alamos, NM 87545 USA. EM Kuiken@lanl.gov RI DELEAGE, Gilbert/F-7163-2010; OI Foley, Brian/0000-0002-1086-0296; Korber, Bette/0000-0002-2026-5757 FU PHS HHS [Y1-A1-1500] NR 9 TC 62 Z9 65 U1 0 U2 5 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0270-9139 J9 HEPATOLOGY JI Hepatology PD NOV PY 2006 VL 44 IS 5 BP 1355 EP 1361 DI 10.1002/hep.21377 PG 7 WC Gastroenterology & Hepatology SC Gastroenterology & Hepatology GA 099IH UT WOS:000241586400030 PM 17058236 ER PT J AU Sloter, E Schmid, TE Marchetti, F Eskenazi, B Nath, J Wyrobek, AJ AF Sloter, E. Schmid, T. E. Marchetti, F. Eskenazi, B. Nath, J. Wyrobek, A. J. TI Quantitative effects of male age on sperm motion SO HUMAN REPRODUCTION LA English DT Article DE CASA; human; male age; motility; sperm ID DETERIORATING SEMEN QUALITY; INFERTILE COUPLES; HEALTHY-MEN; FERTILIZATION; PARAMETERS; FREQUENCIES; FERTILITY; PREGNANCY AB BACKGROUND: Semen quality is associated with fertility status, but there is little quantitative information on risk factors that affect semen quality, especially in non-clinical populations. Advancing male age has been associated with a decline in semen quality, with the largest effect being on sperm motility. However, there is little quantitative data on the specific components of sperm motion that are affected by male age. METHODS: We performed linear regression analyses of 14 aspects of semen quality measured by computer-assisted semen analysis (CASA) in a non-clinical cohort of 90 non-smoking men, aged 22-80 years, who had no history of infertility or reproductive problems. RESULTS: We found age-associated declines in CASA-determined motility (% motile, 0.8% per year; % progressively motile, 0.9% per year; % rapidly motile, 0.4% per year, P <= 0.001) and three quantitative aspects of sperm motion [linearity (LIN), 0.2% per year; straight line velocity (VSL), 0.2% per year, and average path velocity (VAP), 0.3% per year, P < 0.05], with no evidence for age thresholds and no significant association with abstinence duration. Age was not significantly associated with amplitude of lateral head (ALH) displacement, beat cross frequency (BCF) and nuclear elongation or size. CONCLUSIONS: Quantitative analysis of sperm motion indicates that as men age, they produce fewer motile sperm, which are able to travel less along a linear path, thus covering less forward distance per unit time. These findings may have fertility implications for men who choose to delay fatherhood. C1 Lawrence Livermore Natl Lab, Biosci Directorate, Livermore, CA USA. Univ Calif Berkeley, Sch Publ Hlth, Berkeley, CA 94720 USA. W Virginia Univ, Genet & Dev Biol Program, Morgantown, WV 26506 USA. RP Wyrobek, AJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. EM ajwyrobek@gmail.com OI Marchetti, Francesco/0000-0002-9435-4867 FU NIEHS NIH HHS [P42 ES04705] NR 33 TC 55 Z9 61 U1 2 U2 10 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0268-1161 J9 HUM REPROD JI Hum. Reprod. PD NOV PY 2006 VL 21 IS 11 BP 2868 EP 2875 DI 10.1093/humrep/del250 PG 8 WC Obstetrics & Gynecology; Reproductive Biology SC Obstetrics & Gynecology; Reproductive Biology GA 094XO UT WOS:000241272700021 PM 16793993 ER PT J AU Trabert, E AF Traebert, Elmar TI Atomic spectroscopy of trapped, highly charged, heavy ions SO HYPERFINE INTERACTIONS LA English DT Article DE visible and ultraviolet spectra; lifetimes; spectroscopic techniques ID MANY-BODY CALCULATIONS; BORON-LIKE IONS; SOFT-X-RAY; N=2 STATES; SPECTROMETER; TRANSITIONS; ENERGIES; SPECTRA; M1; E2 AB For spectroscopy, the electron beam ion trap (EBIT) is of special interest, because it provides a cloud of highly charged ions that is confined to a small volume, at very low particle density, at a relatively low temperature, and without any net velocity in the laboratory rest frame. These conditions are favourable for observations at high spectral resolution and wavelength accuracy. Examples from recent work at Livermore comprise extreme ultraviolet and soft-X-ray spectra. A time-resolving multi-pixel microcalorimeter furthermore permits the study of time-dependent plasma phenomena and atomic lifetimes. Lifetime measurements at a heavy-ion storage ring can be combined with EBIT measurements to clarify isoelectronic behaviour. C1 Ruhr Univ Bochum, D-44780 Bochum, Germany. Lawrence Livermore Natl Lab, High Temp & Astrophys Div, Livermore, CA 94550 USA. RP Trabert, E (reprint author), Ruhr Univ Bochum, D-44780 Bochum, Germany. EM traebert@ep3.rub.de NR 25 TC 1 Z9 1 U1 1 U2 2 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0304-3843 J9 HYPERFINE INTERACT JI Hyperfine Interact. PD NOV PY 2006 VL 173 IS 1-3 BP 13 EP 18 DI 10.1007/s10751-007-9536-1 PG 6 WC Physics, Atomic, Molecular & Chemical; Physics, Condensed Matter; Physics, Nuclear SC Physics GA 201EM UT WOS:000248814300002 ER PT J AU Brown, IH Blood, P Smowton, PM Thomson, JD Olaizola, SM Fox, AM Parbrook, PJ Chow, WW AF Brown, Iain H. Blood, Peter Smowton, Peter M. Thomson, John D. Olaizola, Santiago M. Fox, A. Mark Parbrook, Peter J. Chow, Weng W. TI Time evolution of the screening of piezoelectric fields in InGaN quantum wells SO IEEE JOURNAL OF QUANTUM ELECTRONICS LA English DT Article ID OPTICAL-PROPERTIES; NITRIDE; LASERS AB We have measured the time response of the emission spectra of In0.07Ga0.93 N quantum wells with widths of 2, 3, and 4 nm in GaN following pulsed optical excitation. We observe a blue shift of the emission peak during the excitation and a subsequent red shift as the carriers recombine in the 3- and 4-nm wells, and a negligible shift for the 2-nm well. Using a comprehensive theory we are able to fit both the time evolution of the peak emission energy and the integrated emission intensity. The shift of the emission peak (by about 17 meV) arises from the balancing of the change in screening of the internal piezoelectric field as the carrier density changes and bandgap renormalization. We have projected the calculations to quantify the degree of screening at typical threshold carrier densities. At transparency we estimate carrier densities of 43 x 10(16) m(-2) and 4.8 x 10(16) m(-2) for the 4- and 3-mn wells, respectively, which reduce the internal piezoelectric field in the well to 0.97 x 10(8) (4 nm) and 1.03 x 10(8) (3 nm) V(.)m(-1) compared with the unscreened value of about 1.23 x 10(8) V(.)m(-1). Thus, a substantial field remains in these wells under laser conditions. We find that this partially screened field is beneficial in: reducing the threshold current compared with that of a square well for modal gains up to about 150 cm(-1). C1 Univ Cardiff Wales, Dept Phys & Astron, Cardiff CF24 3YB, Wales. Univ Sheffield, Dept Phys & Astron, Sheffield S3 7RH, S Yorkshire, England. Sandia Natl Labs, Semicond Mat & Devices Dept, Albuquerque, NM 87185 USA. RP Brown, IH (reprint author), Univ Cardiff Wales, Dept Phys & Astron, Cardiff CF24 3YB, Wales. EM driainbrown@hotmail.co.uk; bloodp@cf.ac.uk; smowtonpm@cf.ac.uk; thomsonjd@cardiff.ac.uk; yolaizola@ceit.es; mark.fox@sheffield.ac.uk; p.parbrook@sheffield.ac.uk; wwchow@sandia.gov RI Fox, Mark/F-1096-2010; Parbrook, Peter/R-7680-2016; OI Fox, Mark/0000-0002-9025-2441; Parbrook, Peter/0000-0003-3287-512X; Smowton, Peter/0000-0002-9105-4842 NR 14 TC 42 Z9 42 U1 1 U2 5 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9197 J9 IEEE J QUANTUM ELECT JI IEEE J. Quantum Electron. PD NOV-DEC PY 2006 VL 42 IS 11-12 BP 1202 EP 1208 DI 10.1109/JQE.2006.883472 PG 7 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA 114TV UT WOS:000242689400012 ER PT J AU Grasso, DM Serkland, DK Peake, GM Geib, KM Choquette, KD AF Grasso, Daniel M. Serkland, Darwin K. Peake, Gregory M. Geib, Kent M. Choquette, Kent D. TI Direct modulation characteristics of composite resonator vertical-cavity lasers SO IEEE JOURNAL OF QUANTUM ELECTRONICS LA English DT Article DE composite resonator; coupled cavity; modulation; vertical-cavity laser ID SURFACE-EMITTING LASERS; SEMICONDUCTOR-LASERS; TRANSMISSION; THRESHOLD; BANDWIDTH; DESIGN; VCSELS; NOISE AB We report the small-signal modulation characteristics of a monolithic dual resonator vertical cavity surface emitting laser. The modulation response is described by a system of rate equations with two independent carrier populations and a single longitudinal optical mode. The independent optical overlaps and differential gains of the two active regions can each be adjusted to maximize the output response. We show that under certain conditions, the composite resonator may achieve a higher bandwidth than a single cavity laser with the same photon density. We find the relaxation oscillation frequency to depend mainly on the total photon density and not the individual currents in the two cavities. With appropriate current injection, the composite resonator laser achieves a maximum -3-dB bandwidth of 12.5 GHz and a maximum modulation current efficiency factor of approximately 5 GHz/ma(1/2). C1 Univ Illinois, Dept Elect & Comp Engn, Urbana, IL 61801 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Grasso, DM (reprint author), Nuvonyx Inc, Bridgeton, MO 63044 USA. EM choquette@uiuc.edu NR 19 TC 17 Z9 17 U1 1 U2 7 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9197 J9 IEEE J QUANTUM ELECT JI IEEE J. Quantum Electron. PD NOV-DEC PY 2006 VL 42 IS 11-12 BP 1248 EP 1254 DI 10.1109/JQE.2006.883499 PG 7 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA 114TV UT WOS:000242689400018 ER PT J AU Linden, S Enkrich, C Dolling, G Klein, MW Zhou, J Koschny, T Soukoulis, CM Burger, S Schmidt, F Wegener, M AF Linden, Stefan Enkrich, Christian Dolling, Gunnar Klein, Matthias W. Zhou, Jiangfeng Koschny, Thomas Soukoulis, Costas M. Burger, Sven Schmidt, Frank Wegener, Martin TI Photonic metamaterials: Magnetism at optical frequencies SO IEEE JOURNAL OF SELECTED TOPICS IN QUANTUM ELECTRONICS LA English DT Article DE metamaterial; negative permeability; split-ring resonator (SRR) ID SPLIT-RING RESONATORS; NEGATIVE-INDEX; EXPERIMENTAL-VERIFICATION; PERFECT-LENS; REFRACTION; LIGHT AB Photonic metamaterials are man-made materials with "lattice constants" smaller than the wavelength of light. Tailoring the properties of their functional building blocks (atoms) allows one to go beyond the possibilities of usual materials. For example, magnetic dipole moments at optical frequencies (mu not equal 1) become possible. This aspect substantially enriches the possibilities of optics and photonics and forms the basis for the so-called negative-index metamaterials. Here, we describe the underlying physics and review the recent progress in this rapidly emerging field. C1 Forschungszentrum Karlsruhe, Inst Nanotechnol, D-76021 Karlsruhe, Germany. Univ Karlsruhe, Inst Angew Phys, D-76131 Karlsruhe, Germany. Iowa State Univ, Dept Elect & Comp Engn, Ames, IA 50011 USA. Iowa State Univ, Microelect Res Ctr, Ames, IA 50011 USA. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. Univ Crete, Fdn Res & Technol Hellas, Inst Elect Struct & Laser, Iraklion 71110, Crete, Greece. Univ Crete, Dept Mat Sci & Technol, Iraklion 71110, Crete, Greece. Zuse Inst Berlin, D-14195 Berlin, Germany. DFG Forschungszentrum Matheon, D-10623 Berlin, Germany. Forschungszentrum Karlsruhe, Inst Nanotechnol, D-76021 Karlsruhe, Germany. RP Linden, S (reprint author), Forschungszentrum Karlsruhe, Inst Nanotechnol, D-76021 Karlsruhe, Germany. EM christian.enkrich@physik.uni-karlsruhe.de RI Soukoulis, Costas/A-5295-2008; Zhou, Jiangfeng/D-4292-2009; Wegener, Martin/S-5456-2016; OI Zhou, Jiangfeng/0000-0002-6958-3342; Burger, Sven/0000-0002-3140-5380 NR 35 TC 104 Z9 107 U1 11 U2 44 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 1077-260X J9 IEEE J SEL TOP QUANT JI IEEE J. Sel. Top. Quantum Electron. PD NOV-DEC PY 2006 VL 12 IS 6 BP 1097 EP 1105 DI 10.1109/JSTQE.2006.880600 PN 1 PG 9 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA 119LK UT WOS:000243013600005 ER PT J AU Dal Negro, L Hamel, S Zaitseva, N Yi, JH Williamson, A Stolfi, M Michel, J Galli, G Kimerling, LC AF Dal Negro, Luca Hamel, Sebastien Zaitseva, Natalia Yi, Jae Hyung Williamson, Andrew Stolfi, Michael Michel, Jurgen Galli, Giulia Kimerling, Lionel C. TI Synthesis, characterization, and modeling of nitrogen-passivated colloidal and thin film silicon nanocrystals SO IEEE JOURNAL OF SELECTED TOPICS IN QUANTUM ELECTRONICS LA English DT Article DE electroluminescence; light sources; nanotechnology; silicon ID OPTICAL-PROPERTIES; QUANTUM DOTS; STIMULATED-EMISSION; SI NANOCRYSTALS; NITRIDE FILMS; LUMINESCENCE; LIGHT; NANOPARTICLES; NANOCLUSTERS; CONFINEMENT AB We review our main experimental and theoretical results on the optical emission properties of Si-nanocrystals (Si-nc's) fabricated by colloidal and thin film deposition techniques' showing that the surface chemistry of the Si-nc's or the surrounding matrix play a crucial role in determining both the structural stability and the optoelectronic properties of Si-nc. Our results, guided by first-principles simulations indicate that nitrogen, oxygen, and carbon atoms bonded to the surface of nanometer silicon clusters play a crucial role in the emission mechanism of small Si quantum dots. The control and the understanding of the Si-nc surface structure and composition can provide alternative routes toward the fabrication of optically active complementary metal/oxide semiconductor devices. C1 MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. RP Dal Negro, L (reprint author), Boston Univ, Dept Elect & Comp Engn, Boston, MA 02215 USA. EM dalnegro@bu.edu NR 53 TC 12 Z9 12 U1 1 U2 8 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 1077-260X J9 IEEE J SEL TOP QUANT JI IEEE J. Sel. Top. Quantum Electron. PD NOV-DEC PY 2006 VL 12 IS 6 BP 1151 EP 1163 DI 10.1109/JSTQE.2006.883693 PN 1 PG 13 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA 119LK UT WOS:000243013600011 ER PT J AU Dal Negro, L Yi, JH Michel, J Kimerling, LC Hamel, S Williamson, A Galli, G AF Dal Negro, Luca Yi, Jae Hyung Michel, Jurgen Kimerling, Lionel C. Hamel, Sebastien Williamson, Andrew Galli, Giulia TI Light-emitting silicon nanocrystals and photonic structures in silicon nitride SO IEEE JOURNAL OF SELECTED TOPICS IN QUANTUM ELECTRONICS LA English DT Article DE electroluminescence; light sources; nanotechnology; silicon ID ENERGY-TRANSFER; PHOTOLUMINESCENCE; LOCALIZATION; NANOCLUSTERS; EFFICIENCY; WAVES AB In this paper, we review our main results on the optical and electrical properties of light-emitting silicon nanocrystals (Si-ncs) obtained from the thermally induced nucleation in amorphous silicon-rich nitride (SRN) films deposited either by plasma-enhanced chemical vapor deposition (PE-CVD) or magnetron sputtering. In particular, we discuss the Si-ncs microscopic light emission mechanism combining the optical data with the first-principle calculations of the absorption/emission Stokes shifts and recombination lifetimes. In addition, we report on the electrical injection characteristics of simple p-i-n device structures showing efficient bipolar transport and room temperature electroluminescence, and demonstrate efficient energy sensitization of erbium (Er) ions from the Si-ncs embedded in the SRN matrices. We further show that the light-emitting nanocrystals in SRN can be embedded in aperiodic photonic environments, where the localized optical modes can be used to significantly enhance the Si-ncs emission intensity at different emission wavelengths. These results suggest that the Si-ncs embedded in the SRN matrices have a large potential for the fabrication of optically active photonic devices based on the Si technology. C1 Boston Univ, Dept Elect & Comp Engn, Boston, MA 02215 USA. MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. RP Dal Negro, L (reprint author), Boston Univ, Dept Elect & Comp Engn, Boston, MA 02215 USA. EM dalnegro@bu.edu; yijh@MIT.EDU; jmichel@MIT.EDU; lckim@MIT.EDU; hamel2@llnl.gov; williamson10@llnl.gov; gagalli@ucdavis.edu NR 26 TC 28 Z9 29 U1 0 U2 14 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 1077-260X J9 IEEE J SEL TOP QUANT JI IEEE J. Sel. Top. Quantum Electron. PD NOV-DEC PY 2006 VL 12 IS 6 BP 1628 EP 1635 DI 10.1109/JSTQE.2006.883138 PN 2 PG 8 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA 119LL UT WOS:000243013700039 ER PT J AU Harris, JR O'Shea, PG AF Harris, John R. O'Shea, Patrick G. TI Gridded electron guns and modulation of intense beams SO IEEE TRANSACTIONS ON ELECTRON DEVICES LA English DT Article DE electron guns; electron tubes; particle beams; space-charge waves AB Gridded guns are useful for producing modulated electron beams. This modulation is generally limited to simple gating of the beam but may be used to apply structure to the beam pulse shape. In intense beams, this structure spawns space-charge waves whose dynamics depend in part on the relative strengths of the velocity and density variations which comprise the initial current modulation. In this paper, the strengths of beam current and velocity modulation produced in a gridded electron gun are calculated, and it is shown that under normal conditions, the initial modulation is dominated by density variation rather than velocity variation. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Univ Maryland, Dept Elect & Comp Engn, College Pk, MD 20740 USA. RP Harris, JR (reprint author), Lawrence Livermore Natl Lab, POB 5508, Livermore, CA 94551 USA. EM harris89@llnl.gov; poshea@umd.edu NR 13 TC 12 Z9 13 U1 1 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9383 J9 IEEE T ELECTRON DEV JI IEEE Trans. Electron Devices PD NOV PY 2006 VL 53 IS 11 BP 2824 EP 2829 DI 10.1109/TED.2006.883671 PG 6 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 102IX UT WOS:000241805300021 ER PT J AU Zhang, B Huang, AQ Chen, B Atcitty, S Ingram, M AF Zhang, Bin Huang, Alex Q. Chen, Bin Atcitty, Stanley Ingram, Michael TI Development and experimental demonstration of a self-powered ETO (SPETO) SO IEEE TRANSACTIONS ON INDUSTRY APPLICATIONS LA English DT Article; Proceedings Paper CT 39th Annual Meeting of the IEEE-Industry-Applications-Society CY OCT 03-07, 2004 CL Seattle, WA SP IEEE Ind Applicat Soc DE base/gate drive suppression; emitter turn-off thyristor (ETO); gate turn-off thyristor (GTO); self-powered ETO (SPETO) AB This paper presents the design and experimental demonstration of a superior high-power-device self-powered emitter turn-off thyristor (SPETO). Different from conventional high-power devices which require external power input for their gate drivers, the SPETO achieves optically controlled turn on and turn off, and all of the internal power required is self-obtained. A low-loss gate-drive circuit is implemented which allows the simple power-up operation. During a normal switching operation, the SPETO obtains a power for the gate drive during its turn-on operation. A novel switching strategy is also introduced to minimize the gate-drive power requirement. The SPETO greatly reduces costs and increases the reliability of power converters since no external power supply for device gate drive is required. Therefore, the SPETO is suitable for high-power high-frequency voltage-source-converter applications. C1 Linear Technol Corp, Cary, NC 27513 USA. N Carolina State Univ, SPEC, Raleigh, NC 27695 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. TVA, Chattanooga, TN 37402 USA. RP Zhang, B (reprint author), Linear Technol Corp, Cary, NC 27513 USA. EM bzhang@linear.com; aqhuang@ncsu.edu; bchen4@ncsu.edu; satcitt@sandia.gov; mringram@tva.gov RI Huang, Alex/Q-9784-2016 OI Huang, Alex/0000-0003-3427-0335 NR 11 TC 7 Z9 7 U1 0 U2 2 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0093-9994 J9 IEEE T IND APPL JI IEEE Trans. Ind. Appl. PD NOV-DEC PY 2006 VL 42 IS 6 BP 1387 EP 1394 DI 10.1109/TIA.2006.882657 PG 8 WC Engineering, Multidisciplinary; Engineering, Electrical & Electronic SC Engineering GA 108RK UT WOS:000242256700005 ER PT J AU Liao, WK Coloma, K Choudhary, A Ward, L Russell, E Pundit, N AF Liao, Wei-keng Coloma, Kenin Choudhary, Alok Ward, Lee Russell, Eric Pundit, Neil TI Scalable design and implementations for MPI parallel overlapping I/O SO IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS LA English DT Article DE MPI; MPI I/O; atomic I/O; file atomicity; file consistency; cache coherence; overlapping I/O AB We investigate the Message Passing Interface Input/Output (MPI I/O) implementation issues for two overlapping access patterns: the overlaps among processes within a single I/O operation and the overlaps across a sequence of I/O operations. The former case considers whether I/O atomicity can be obtained in the overlapping regions. The latter focuses on the file consistency problem on parallel machines with client-side file caching enabled. Traditional solutions for both overlapping I/O problems use whole file or byte-range file locking to ensure exclusive access to the overlapping regions and bypass the file system cache. Unfortunately, not only can file locking serialize I/O, but it can also increase the aggregate communication overhead between clients and I/O servers. For atomicity, we first differentiate MPI's requirements from the Portable Operating System Interface (POSIX) standard and propose two scalable approaches, graph coloring and process-rank ordering, which can resolve access conflicts and maintain I/O parallelism. For solving the file consistency problem across multiple I/O operations, we propose a method called Persistent File Domains, which tackles cache coherency with additional information and coordination to guarantee safe cache access without using file locks. C1 Northwestern Univ, Dept Elect Engn & Comp Sci, Technol Inst L359, Evanston, IL 60208 USA. Sandia Natl Labs, Scalable Comp Syst Dept, Albuquerque, NM 87185 USA. RP Liao, WK (reprint author), Northwestern Univ, Dept Elect Engn & Comp Sci, Technol Inst L359, 2145 Sheridan Rd, Evanston, IL 60208 USA. EM wkliao@ece.northwestern.edu; kcoloma@ece.northwestern.edu; choudher@ece.northwestern.edu; lee@sandia.gov; edrusse@sandia.gov; pundit@sandia.gov RI Liao, Wei-keng/B-7247-2009; Choudhary, Alok/C-5486-2009 NR 31 TC 5 Z9 5 U1 1 U2 3 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1045-9219 EI 1558-2183 J9 IEEE T PARALL DISTR JI IEEE Trans. Parallel Distrib. Syst. PD NOV PY 2006 VL 17 IS 11 BP 1264 EP 1276 PG 13 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA 086UQ UT WOS:000240698900005 ER PT J AU Korgel, BA Lee, DC Hanrath, T Yacaman, MJ Thesen, A Matijevic, M Kilaas, R Kisielowski, C Diebold, AC AF Korgel, Brian A. Lee, D. C. Hanrath, Tobias Yacaman, Miguel Jose Thesen, Alexander Matijevic, Marco Kilaas, Roar Kisielowski, Christian Diebold, Alain C. TI Application of aberration-corrected TEM and image simulation to nanoelectronics and nanotechnology SO IEEE TRANSACTIONS ON SEMICONDUCTOR MANUFACTURING LA English DT Article; Proceedings Paper CT 5th Conference on Characterization and Metrology for ULSI Technology CY MAR 15-18, 2005 CL Richardson, TX SP Natl Inst Standards & Technol, SEMATECH, Amer Phys Soc, Natl Sci Fdn, Semiconductor Res Corp, Semiconductor Equipment & Mat Int, Univ Texas Dallas, Semiconductor Int DE defects; nanowire; simulation; transmission electron microscopy (TEM) ID TRANSMISSION ELECTRON-MICROSCOPY; SUB-ANGSTROM RESOLUTION; GE NANOWIRES; CRYSTALS AB The image quality in electron microscopy often suffers from lens aberration. As a result of lens aberrations, critical information appears distorted at the atomic scale in high-resolution transmission electron microscopy (HRTEM). In scanning TEM (STEM), the spatial resolution of images and the quality of spectroscopic data are greatly reduced. With the recent introduction of aberration-corrected lenses and monochromators, new and exciting images with sub4.1-nm spatial resolution are now recorded routinely, and electron energy loss data has been used to determine the location of a single atom in an atomic column. As a result of the decreased focal depth of an aberration-corrected lens used in STEM, the dream of three-dimensional (3-D) atomic resolution is one step closer and for HRTEM it was shown that 3-D imaging with atomic resolution is feasible. However, understanding imaging and spectroscopy in HRTEM and STEM still requires refined modeling of the underlying electron scattering processes by multislice image simulation. Since research into the physics and technology of nanoelectronic devices has already moved into sub-10-nm transistor gate lengths, the need for well-understood imaging and spectroscopy at nanoscale dimensions is already upon us. Fortunately, nanowires and other nanotechnology materials serve as useful test samples as well as being potential materials for future nanoelectronics. This enables early development of microscopy methods that will be used to investigate future generations of integrated circuits. C1 Univ Texas, Dept Chem Engn, Austin, TX 78712 USA. Carl Zeiss NTS GmbH, D-73443 Oberkochen, Germany. Total Resolut, Berkeley, CA 94707 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. SEMATECH, Austin, TX 78741 USA. RP Korgel, BA (reprint author), Univ Texas, Dept Chem Engn, Austin, TX 78712 USA. EM alain.diebold@sematech.org RI Lee, Doh Chang/C-1835-2011; Korgel, Brian/I-5771-2013; jose yacaman, miguel/B-5622-2009 NR 26 TC 12 Z9 12 U1 1 U2 14 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0894-6507 J9 IEEE T SEMICONDUCT M JI IEEE Trans. Semicond. Manuf. PD NOV PY 2006 VL 19 IS 4 BP 391 EP 396 DI 10.1109/TSM.2006.884713 PG 6 WC Engineering, Manufacturing; Engineering, Electrical & Electronic; Physics, Applied; Physics, Condensed Matter SC Engineering; Physics GA 105XG UT WOS:000242065000004 ER PT J AU Keim, DA Robertson, GG Thomas, JJ van Wijk, JJ AF Keim, Daniel A. Robertson, George G. Thomas, Jim J. van Wijk, Jarke J. TI Guest editorial: Special section on visual analytics SO IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS LA English DT Editorial Material C1 Univ Konstanz, Dept Comp & Informat Sci, D-78457 Constance, Germany. Microsoft Res, Redmond, WA 98052 USA. Computat & Informat Sci Directorate, Pacific NW Natl Lab, Richland, WA 99354 USA. Tech Univ Eindhoven, Dept Math & Comp Sci, NL-5600 MB Eindhoven, Netherlands. RP Keim, DA (reprint author), Univ Konstanz, Dept Comp & Informat Sci, D-78457 Constance, Germany. EM keim@inf.uni-konstanz.de; ggr@microsoft.com; Jim.thomas@pnl.gov; vanwijk@win.tue.nl NR 0 TC 3 Z9 4 U1 0 U2 2 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1077-2626 J9 IEEE T VIS COMPUT GR JI IEEE Trans. Vis. Comput. Graph. PD NOV-DEC PY 2006 VL 12 IS 6 BP 1361 EP 1362 DI 10.1109/TVCG.2006.93 PG 2 WC Computer Science, Software Engineering SC Computer Science GA 082JW UT WOS:000240383900001 ER PT J AU Wong, PC Foote, H Mackey, P Perrine, K Chin, G AF Wong, Pak Chung Foote, Harlan Mackey, Patrick Perrine, Ken Chin, George, Jr. TI Generating graphs for visual analytics through interactive sketching SO IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS LA English DT Article DE data and knowledge visualization; information visualization; visualization techniques and methodologies; graphs and networks ID NETWORKS AB We introduce an interactive graph generator, GreenSketch, designed to facilitate the creation of descriptive graphs required for different visual analytics tasks. The human-centric design approach of GreenSketch enables users to master the creation process without specific training or prior knowledge of graph model theory. The customized user interface encourages users to gain insight into the connection between the compact matrix representation and the topology of a graph layout when they sketch their graphs. Both the human-enforced and machine-generated randomnesses supported by GreenSketch provide the flexibility needed to address the uncertainty factor in many analytical tasks. This paper describes more than two dozen examples that cover a wide variety of graph creations from a single line of nodes to a real-life small-world network that describes a snapshot of telephone connections. While the discussion focuses mainly on the design of GreenSketch, we include a case study that applies the technology in a visual analytics environment and a usability study that evaluates the strengths and weaknesses of our design approach. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Wong, PC (reprint author), Pacific NW Natl Lab, POB 999,K7-28, Richland, WA 99352 USA. EM pak.wong@pnl.gov; harlan.foote@pnl.gov; patrick.mackey@pnl.gov; ken.perrine@pnl.gov; george.chin@pnl.gov NR 32 TC 9 Z9 9 U1 0 U2 2 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1077-2626 EI 1941-0506 J9 IEEE T VIS COMPUT GR JI IEEE Trans. Vis. Comput. Graph. PD NOV-DEC PY 2006 VL 12 IS 6 BP 1386 EP 1398 PG 13 WC Computer Science, Software Engineering SC Computer Science GA 082JW UT WOS:000240383900004 PM 17073363 ER PT J AU Wong, PC Foote, H Chin, G Mackey, P Perrine, K AF Wong, Pak Chung Foote, Harlan Chin, George, Jr. Mackey, Patrick Perrine, Ken TI Graph signatures for visual analytics SO IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS LA English DT Article DE data and knowledge visualization; information visualization; visualization techniques and methodologies; graphs and networks AB We present a visual analytics technique to explore graphs using the concept of a data signature. A data signature, in our context, is a multidimensional vector that captures the local topology information surrounding each graph node. Signature vectors extracted from a graph are projected onto a low-dimensional scatterplot through the use of scaling. The resultant scatterplot, which reflects the similarities of the vectors, allows analysts to examine the graph structures and their corresponding real-life interpretations through repeated use of brushing and linking between the two visualizations. The interpretation of the graph structures is based on the outcomes of multiple participatory analysis sessions with intelligence analysts conducted by the authors at the Pacific Northwest National Laboratory. The paper first uses three public domain data sets with either well-known or obvious features to explain the rationale of our design and illustrate its results. More advanced examples are then used in a customized usability study to evaluate the effectiveness and efficiency of our approach. The study results reveal not only the limitations and weaknesses of the traditional approach based solely on graph visualization, but also the advantages and strengths of our signature-guided approach presented in the paper. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Wong, PC (reprint author), Pacific NW Natl Lab, POB 999,K7-28, Richland, WA 99352 USA. EM pak.wong@pnl.gov; harlan.foote@pnl.gov; george.chin@pnl.gov; patrick.mackey@pnl.gov; ken.perrine@pnl.gov NR 37 TC 16 Z9 16 U1 0 U2 0 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1077-2626 J9 IEEE T VIS COMPUT GR JI IEEE Trans. Vis. Comput. Graph. PD NOV-DEC PY 2006 VL 12 IS 6 BP 1399 EP 1413 PG 15 WC Computer Science, Software Engineering SC Computer Science GA 082JW UT WOS:000240383900005 PM 17073364 ER PT J AU Shen, ZQ Ma, KL Eliassi-Rad, T AF Shen, Zeqian Ma, Kwan-Liu Eliassi-Rad, Tina TI Visual analysis of large heterogeneous social networks by semantic and structural abstraction SO IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS LA English DT Article DE graph drawing; information visualization; ontology; semantic graphs; social networks; visual analytics AB Social network analysis is an active area of study beyond sociology. It uncovers the invisible relationships between actors in a network and provides understanding of social processes and behaviors. It has become an important technique in a variety of application areas such as the Web, organizational studies, and homeland security. This paper presents a visual analytics tool, OntoVis, for understanding large, heterogeneous social networks, in which nodes and links could represent different concepts and relations, respectively. These concepts and relations are related through an ontology (also known as a schema). OntoVis is named such because it uses information in the ontology associated with a social network to semantically prune a large, heterogeneous network. In addition to semantic abstraction, OntoVis also allows users to do structural abstraction and importance filtering to make large networks manageable and to facilitate analytic reasoning. All these unique capabilities of OntoVis are illustrated with several case studies. C1 Univ Calif Davis, Dept Comp Sci, Davis, CA 95616 USA. Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94550 USA. RP Shen, ZQ (reprint author), Univ Calif Davis, Dept Comp Sci, 1 Shields Ave, Davis, CA 95616 USA. EM shenz@cs.ucdavis.edu; ma@cs.ucdavis.edu; eliassirad1@llnl.gov NR 34 TC 62 Z9 67 U1 1 U2 17 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1077-2626 J9 IEEE T VIS COMPUT GR JI IEEE Trans. Vis. Comput. Graph. PD NOV-DEC PY 2006 VL 12 IS 6 BP 1427 EP 1439 PG 13 WC Computer Science, Software Engineering SC Computer Science GA 082JW UT WOS:000240383900007 PM 17073366 ER PT J AU Fryxell, GE AF Fryxell, Glen E. TI The synthesis of functional mesoporous materials SO INORGANIC CHEMISTRY COMMUNICATIONS LA English DT Review DE functional; mesoporous; catalyst; silane; monolayer; metal complex; ligand; nanomaterial; nanoporous; chemical separation; chelation; selective ID SELF-ASSEMBLED MONOLAYERS; METAL-ION ADSORPTION; MESOSTRUCTURED SILICA/SURFACTANT COMPOSITES; ORGANICALLY MODIFIED SILICATES; INCORPORATED MCM-41 MATERIALS; MOLECULAR-SIEVES; CO-CONDENSATION; MORPHOLOGY CONTROL; THIN-FILMS; HYDROBORATION-ALCOHOLYSIS AB The ability to decorate a silica surface with specific ligand fields and/or metal complexes creates powerful new capabilities for catalysis, chemical separations and sensor development. Integrating this with the ability to control the spacing of these complexes across the surface, as well as the symmetry and size of the pore structure, allows the synthetic chemist to hierarchically tailor these structured nanomaterials to specific needs. The next step up the "scale ladder" is provided by the ability to coat these mesoporous materials onto complex shapes, allowing for the intimate integration of these tailored materials into device interfaces. The ability to tailor the pore structure of these mesoporous supports is derived from the surfactant templated synthesis of mesoporous materials, an area which has seen an explosion of activity over the last decade [J.S. Beck, J.C. Vartuli, W.J. Roth, M.E. Leonowicz, C.T. Kresge, K.D. Scmitt, C.T.W. Chu, D.H. Olson, E.W. Sheppard, S.B. McCullen, J.B. Higgins, J.L. Schlenker, J. Am. Chem. Soc. 114 (1992) 10834-10843; C.T. Kresge, M.E. Leonowicz, W.J. Roth, J.C. Vartuli, J.S. Beck, Nature 359 (1992) 710-712]. The ability to decorate the surface with the desired functionality requires chemical modification of the oxide interface, most commonly achieved using organosilane self-assembly [S.R. Wasserman, Y.T. Tao, G.M. Whitesides, Langmuir 5 (1989) 1074-1087; S.R. Wasserman, G.M. Whitesides, I.M. Tidswell, M. Ocko, P.S. Pershan, J.D. Axe, J. Am. Chem. Soc. 111 (1989) 5852-5861; A. Ulman, Adv. Mater. 2 (1990) 573-582; A. Ulman, An Introduction to Ultra-thin Organic Films: From Langmuir-Blodgett to Self-Assembly, Academic Press, San Diego, 1991]. This manuscript describes recent results from the confluence of these two research areas, with a focus on synthetic manipulation of the morphology and chemistry of the interface, with the ultimate goal of binding metal centers in a chemically useful manner. (C) 2006 Published by Elsevier B.V. C1 Pacific NW Natl Lab, Richland, WA 99354 USA. RP Fryxell, GE (reprint author), Pacific NW Natl Lab, Mailstop K2-44,POB 999, Richland, WA 99354 USA. EM glen.fryxell@pnl.gov NR 150 TC 71 Z9 71 U1 7 U2 108 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1387-7003 EI 1879-0259 J9 INORG CHEM COMMUN JI Inorg. Chem. Commun. PD NOV PY 2006 VL 9 IS 11 BP 1141 EP 1150 DI 10.1016/j.inoche.2006.06.012 PG 10 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 100DC UT WOS:000241646600021 ER PT J AU Michon, C Ellern, A Angelici, RJ AF Michon, Christophe Ellern, Arkady Angelici, Robert J. TI Chiral tetradentate amine and tridentate aminocarbene ligands: Synthesis, reactivity and X-ray structural characterizations SO INORGANICA CHIMICA ACTA LA English DT Article DE tetradentate amine; tridentate aminocarbene; copper(I); palladium(II); Heck reaction ID N-HETEROCYCLIC CARBENE; TRANSITION-METAL-COMPLEXES; ASYMMETRIC CATALYSIS; HECK REACTION; CONJUGATE ADDITION; CARBONYL-COMPOUNDS; OLEFIN METATHESIS; RHODIUM COMPLEXES; IMIDAZOLIUM SALTS; CRYSTAL-STRUCTURE AB (1R,2R)-diaminocyclohexane (1) and (1R,2R)-diaminodiphenylethylenediamine (2) were used as building blocks for the synthesis of chiral tetradentate diquinolyl-diamine and related diquinolyl-dihydroimidazolium salts. A neutral chiral palladium(II) complex was synthesized by reaction of palladium acetate with the tetradentate diquinolyl diamine derived from 2 and used as a homogeneous catalyst for the Heck reaction between styrene and haloarenes. A chiral tridentate aminocarbene was generated in situ by deprotonation of the dihydroimidazolium salt derived from I and allowed to react with CuI to give a new chiral quinolyl-carbene copper(l) complex. (c) 2006 Elsevier B.V. All rights reserved. C1 Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Angelici, RJ (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. EM angelici@iastate.edu OI Michon, Christophe/0000-0002-0138-2923 NR 58 TC 15 Z9 15 U1 0 U2 9 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0020-1693 EI 1873-3255 J9 INORG CHIM ACTA JI Inorg. Chim. Acta PD NOV 1 PY 2006 VL 359 IS 14 BP 4549 EP 4556 DI 10.1016/j.ica.2006.07.019 PG 8 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 106ST UT WOS:000242121800013 ER PT J AU Nedic, DP Dobson, I Kirschen, DS Carreras, BA Lynch, VE AF Nedic, Dusko P. Dobson, Ian Kirschen, Daniel S. Carreras, Benjamin A. Lynch, Vickie E. TI Criticality in a cascading failure blackout model SO INTERNATIONAL JOURNAL OF ELECTRICAL POWER & ENERGY SYSTEMS LA English DT Article; Proceedings Paper CT 15th Power Systems Computation Conference (PSCC 05) CY AUG 22-26, 2005 CL Liege, BELGIUM DE reliability; risk; power law ID POWER-SYSTEM BLACKOUTS; SECURITY; DYNAMICS AB We verify and examine criticality in a 1000 bus network with an AC blackout model that represents many of the interactions that occur in cascading failure. At the critical loading there is a sharp rise in the mean blackout size and a power law probability distribution of blackout size that indicates a significant risk of large blackouts. (C) 2006 Elsevier Ltd. All rights reserved. C1 Univ Wisconsin, Dept Elect & Comp Engn, Madison, WI 53706 USA. Univ Manchester, Sch Elect & Elect Engn, Manchester M60 1QD, Lancs, England. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Nedic, DP (reprint author), Univ Wisconsin, Dept Elect & Comp Engn, 1415 Engn Dr, Madison, WI 53706 USA. EM dusko.nedic@tnei.co.uk; dobson@engr.wisc.edu; D.Kirschen@manchester.ac.uk; carrerasba@ornl.gov RI Dobson, Ian/C-3989-2008; Kirschen, Daniel/A-2800-2010; Kirschen, Daniel/A-1400-2011; Lynch, Vickie/J-4647-2012 OI Dobson, Ian/0000-0001-7018-5475; Kirschen, Daniel/0000-0002-6471-0285; Lynch, Vickie/0000-0002-5836-7636 NR 18 TC 90 Z9 104 U1 0 U2 8 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0142-0615 J9 INT J ELEC POWER JI Int. J. Electr. Power Energy Syst. PD NOV PY 2006 VL 28 IS 9 BP 627 EP 633 DI 10.1016/j.ijepes.2006.03.006 PG 7 WC Engineering, Electrical & Electronic SC Engineering GA 108TH UT WOS:000242261600006 ER PT J AU Miller, DG AF Miller, DG TI Where did Greenhill's twist rule come from? SO INTERNATIONAL JOURNAL OF IMPACT ENGINEERING LA English DT Article DE Greenhill; rifling twist; bullet stability; history; ballistics AB Greenhill's Rule for estimating rifling twist in artillery and small arms is interesting both because of its simplicity and longevity. This article describes (a) Greenhill's Simplified Rule for estimating the twist of rifling; (b) describes his original, more complete, but much less known Rule; (c) summarizes how he got the Rule; and (d) relates it to the modern stability factor. Some comments about twist, bullet stability, and black powder velocities are presented. (C) 2005 Elsevier Ltd. All rights reserved. C1 Lawrence Livermore Natl Lab, Livermore, CA USA. RP Miller, DG (reprint author), 2862 Waverly Way, Livermore, CA 94551 USA. EM don.miller9@comcast.net NR 14 TC 2 Z9 2 U1 0 U2 1 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0734-743X J9 INT J IMPACT ENG JI Int. J. Impact Eng. PD NOV PY 2006 VL 32 IS 11 BP 1786 EP 1799 DI 10.1016/j.ijimpeng.2005.06.001 PG 14 WC Engineering, Mechanical; Mechanics SC Engineering; Mechanics GA 047RZ UT WOS:000237897700004 ER PT J AU Qiu, CA Opalka, SM Olson, GB Anton, DL AF Qiu, Caian Opalka, Susanne M. Olson, Gregory B. Anton, Donald L. TI Thermodynamic modeling of the sodium alanates and the Na-Al-H system SO INTERNATIONAL JOURNAL OF MATERIALS RESEARCH LA English DT Article DE sodium alanates; thermodynamics; first-principles; density functional theory; direct method lattice dynamics ID TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; HYDROGEN STORAGE; COMPLEX HYDRIDES; 1ST PRINCIPLES; HEAT-CAPACITY; NAALH4; ALUMINUM; LIQUID; TETRAHYDRIDOALUMINATE AB The thermodynamic properties of the Al-Na and Na-Al-H systems have been assessed by combining the "calculation of phase diagram" approach with first-principles predictions. The Gibbs energies of the individual phases were thermodynamically modeled, where the model parameters were obtained from best fit optimizations to combined experimental and first-principles predicted finite temperature data. The first-principles thermodynamic predictions were based upon density functional theory ground state minimizations and direct method lattice dynamics. The predictions proved to be important adjuncts to the assessments whenever experimental measurements were lacking or not feasible. It was shown that the phase stability conditions of sodium alanates, NaAlH4 and Na3AlH6, were well described with the present models. C1 United Technol Res Ctr, E Hartford, CT 06108 USA. Caterpillar Champaing Simulat Ctr, Champaign, IL USA. NW Univ, Evanston, IL USA. Questek Innovat LLC, Evanston, IL USA. Savannah River Natl Lab, Aiken, SC USA. RP Opalka, SM (reprint author), United Technol Res Ctr, 411 Silver Lane,MS 129-22, E Hartford, CT 06108 USA. EM opalkasm@utrc.utc.com RI Olson, Gregory/B-7529-2009 NR 50 TC 12 Z9 12 U1 0 U2 1 PU CARL HANSER VERLAG PI MUNICH PA KOLBERGERSTRASSE 22, POSTFACH 86 04 20, D-81679 MUNICH, GERMANY SN 1862-5282 J9 INT J MATER RES JI Int. J. Mater. Res. PD NOV PY 2006 VL 97 IS 11 BP 1484 EP 1494 PG 11 WC Metallurgy & Metallurgical Engineering SC Metallurgy & Metallurgical Engineering GA 111FL UT WOS:000242436700002 ER PT J AU Luo, SN Zheng, LQ An, Q Zhao, SJ AF Luo, Sheng-Nian Zheng, Lianqing An, Qi Zhao, Shijin TI Tensile failure of single-crystal and nanocrystalline Lennard-Jones solids under uniaxial strain SO INTERNATIONAL JOURNAL OF MODERN PHYSICS C LA English DT Article DE nanostructure; tensile failure; uniaxial strain; molecular dynamics ID MOLECULAR-DYNAMICS; METALS; STRENGTH; SILICA; CLUSTERS; FRACTURE AB We investigate using molecular dynamics, the tensile failure of single-crystal and nanocrystalline Lennard-Jones solids under uniaxial strain. Stresses are relaxed by plasticity and tensile failure, which are induced via stacking faults, twin planes, void nucleation and growth, and their interactions. Stacking faults and twin planes as well as multiple nanovoids are nucleated at grain boundaries in a nanocrystalline solid. Void formation is characterized by under-coordinated atoms with coordination number <= 7, and the critical void size is comparable to a vacancy. For a single crystal, the number of stacking faults and twin planes decreases during failure mostly due to the absorption by nanovoids. In contrast, it increases with strain monotonically for a nanocrystalline solid, where abundant grain boundaries help the nucleation and deter the propagation and absorption of the stacking faults and twin planes, inducing effective dislocation pile-ups at grain boundaries even in the presence of nanovoids. C1 Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA. Univ Missouri, Dept Chem, Columbia, MO 65211 USA. Univ Sci & Technol China, Sch Earth & Space Sci, Hefei 230026, Anhui, Peoples R China. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Luo, SN (reprint author), Los Alamos Natl Lab, Div Phys, POB 1663, Los Alamos, NM 87545 USA. EM sluo@lanl.gov RI Zheng, Lianqing/B-4171-2008; An, Qi/G-4517-2011; Luo, Sheng-Nian /D-2257-2010; An, Qi/I-6985-2012 OI Luo, Sheng-Nian /0000-0002-7538-0541; NR 25 TC 8 Z9 8 U1 0 U2 3 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0129-1831 J9 INT J MOD PHYS C JI Int. J. Mod. Phys. C PD NOV PY 2006 VL 17 IS 11 BP 1551 EP 1561 DI 10.1142/S0129183106010017 PG 11 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 129AX UT WOS:000243701900002 ER PT J AU Dukelsky, J Lerma, S Errea, B Pittel, S Dimitrova, S Gueorguiev, VG Van Isacker, P AF Dukelsky, J. Lerma H., S. Errea, B. Pittel, S. Dimitrova, S. Gueorguiev, V. G. Van Isacker, P. TI Rank-two Richardson-Gaudin models SO INTERNATIONAL JOURNAL OF MODERN PHYSICS E-NUCLEAR PHYSICS LA English DT Article; Proceedings Paper CT International Conference on Frontiers of Nuclear Structure CY JUN, 2006 CL Shanghai, PEOPLES R CHINA ID SUPERCONDUCTIVITY; STATES AB We first review the development of the Richardson-Gaudin exactly-solvable pairing models and then discuss several new models based on rank-two algebras and their applications to problems in nuclear structure. C1 CSIC, Inst Estructura Mat, E-28006 Madrid, Spain. Univ Delaware, Bartol Res Inst, Newark, DE 19716 USA. Univ Delaware, Dept Phys & Astron, Newark, DE 19716 USA. BAS, Inst Nucl Res & Nucl Energy, Sofia 1784, Bulgaria. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Grand Accelerateur Natl Ions Lourds, F-14076 Caen, France. RP Dukelsky, J (reprint author), CSIC, Inst Estructura Mat, Serrano 123, E-28006 Madrid, Spain. EM dukelsky@iem.cfmac.csic.es; imtl162@iem.cfmac.csic.es; imte001@iem.cfmac.csic.es; pittel@bartol.udel.edu; sevdim@inrne.bas.bg; vesselin@llnl.gov; isacker@ganil.fr RI Dukelsky, Jorge/I-1118-2015; Gueorguiev, Vesselin/A-9679-2009 OI Dukelsky, Jorge/0000-0002-7715-5487; Gueorguiev, Vesselin/0000-0002-2022-6432 NR 24 TC 0 Z9 0 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0218-3013 J9 INT J MOD PHYS E JI Int. J. Mod. Phys. E-Nucl. Phys. PD NOV PY 2006 VL 15 IS 8 SI SI BP 1665 EP 1679 DI 10.1142/S0218301306005289 PG 15 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 129BA UT WOS:000243702200001 ER PT J AU Ginocchio, JN AF Ginocchio, Joseph N. TI Pseudospin symmetry in nuclei as a relativistic symmetry SO INTERNATIONAL JOURNAL OF MODERN PHYSICS E-NUCLEAR PHYSICS LA English DT Article; Proceedings Paper CT International Conference on Frontiers of Nuclear Structure CY JUN, 2006 CL Shanghai, PEOPLES R CHINA ID PHYSICS; STATES; DECAY AB We review some of the empirical and theoretical evidence supporting pseudospin symmetry in nuclei as a relativistic symmetry. We show that the eigenfunctions of realistic relativistic nuclear mean fields approximately conserve pseudospin symmetry. We discuss the implications of pseudospin symmetry for magnetic dipole transitions and Gamow-Teller transitions between states in pseudospin doublets. We explore a more fundamental rationale for pseudospin symmetry in terms of quantum chromodynamics (QCD), the basic theory of the strong interactions. We show that pseudospin symmetry in nuclei implies spin symmetry for an anti-nucleon in a nuclear environment. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Ginocchio, JN (reprint author), Los Alamos Natl Lab, Div Theoret, MS B 283, Los Alamos, NM 87545 USA. EM gino@lanl.gov NR 44 TC 0 Z9 0 U1 0 U2 1 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0218-3013 J9 INT J MOD PHYS E JI Int. J. Mod. Phys. E-Nucl. Phys. PD NOV PY 2006 VL 15 IS 8 SI SI BP 1843 EP 1854 DI 10.1142/S0218301306004879 PG 12 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 129BA UT WOS:000243702200018 ER PT J AU Papenbrock, T Weidenmuller, HA AF Papenbrock, T. Weidenmueller, H. A. TI Two-body random ensemble for nuclei SO INTERNATIONAL JOURNAL OF MODERN PHYSICS E-NUCLEAR PHYSICS LA English DT Article; Proceedings Paper CT International Conference on Frontiers of Nuclear Structure CY JUN, 2006 CL Shanghai, PEOPLES R CHINA ID MANY-BODY SYSTEMS; SHELL-MODEL; SPECTRA; PHYSICS; CHAOS AB The nuclear shell model exhibits dynamical and geometrical aspects. The former are determined by the two-body matrix elements of the residual interaction while the latter are due to the two-body operators that couple pairs of fermions to good quantum numbers of spin, isospin, and parity. We analyze the geometric aspects of the shell model and understand some of its generic properties regarding the generation of chaos in nuclear spectra and correlations between spectra with different quantum numbers. In particular, we address the preponderance of spin-O ground,states. C1 Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. Max Planck Inst Kernphys, D-69029 Heidelberg, Germany. RP Papenbrock, T (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. EM tpapenbr@utk.edu; Hans.Weidenmueller@mpi-hd.mpg.de OI Papenbrock, Thomas/0000-0001-8733-2849 NR 26 TC 0 Z9 0 U1 1 U2 2 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0218-3013 J9 INT J MOD PHYS E JI Int. J. Mod. Phys. E-Nucl. Phys. PD NOV PY 2006 VL 15 IS 8 SI SI BP 1885 EP 1895 DI 10.1142/S0218301306005435 PG 11 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 129BA UT WOS:000243702200021 ER PT J AU Viswanathan, R Coleman, K Rao, U AF Viswanathan, R. Coleman, K. Rao, U. TI Materials for ultra-supercritical coal-fired power plant boilers SO INTERNATIONAL JOURNAL OF PRESSURE VESSELS AND PIPING LA English DT Article; Proceedings Paper CT International Conference WELDS 2005 CY SEP 08, 2005 CL GERMANY SP ESIS, HTMTC, EPRI, US DOE, EPERC, VAMAS, GKSS AB The efficiency of conventional fossil power plants is a strong function of the steam temperature and pressure. Research to increase both has been pursued worldwide, since the energy crisis in the 1970s. The need to reduce CO2 emission has recently provided an additional incentive to increase efficiency. The main enabling technology in achieving the above goals has been the development of stronger high-temperature materials. Extensive R&D programs have resulted in numerous high strength alloys for heavy section piping, and tubing needed to build boilers. The study reported here is aimed at identifying, evaluating and qualifying the materials needed for the construction of the critical components of coal-fired boilers capable of operating with 760 degrees C (1400 degrees F)/35 MPa (5000 psi) steam. The economic viability of such a plant has been explored. Candidate alloys applicable to various ranges of temperature have been identified. Stress rupture tests have been completed on the base metal and on welds to a number of alloys. Steamside oxidation tests in an autoclave at 650 (1200 degrees F) and 800 degrees C (1475 degrees F) have been completed. Fireside corrosion tests have been conducted under conditions simulating those of waterwalls and superheater/reheater tubes. Weldability and fabricability of the alloys have been investigated. The capability of various overlay coatings and diffusion coatings have been examined. This paper provides a status report on the progress achieved to date on this project. (c) 2006 Elsevier Ltd. All rights reserved. C1 EPRI, Palo Alto, CA 94304 USA. US DOE, NETL, Pittsburgh, PA 15236 USA. RP Coleman, K (reprint author), EPRI, 3412 Hillview Ave, Palo Alto, CA 94304 USA. EM KColeman@epri.com NR 0 TC 80 Z9 106 U1 3 U2 36 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0308-0161 J9 INT J PRES VES PIP JI Int. J. Pressure Vessels Pip. PD NOV-DEC PY 2006 VL 83 IS 11-12 BP 778 EP 783 DI 10.1016/j.ijpvp.2006.08.006 PG 6 WC Engineering, Multidisciplinary; Engineering, Mechanical SC Engineering GA 117NC UT WOS:000242878900002 ER PT J AU Goldstein, RZ Cottone, LA Jia, ZR Maloney, T Volkow, ND Squires, NK AF Goldstein, Rita Z. Cottone, Lisa A. Jia, Zhiru Maloney, Thomas Volkow, Nora D. Squires, Nancy K. TI The effect of graded monetary reward on cognitive event-related potentials and behavior in young healthy adults SO INTERNATIONAL JOURNAL OF PSYCHOPHYSIOLOGY LA English DT Article DE ERP; reaction time; monetary reward; P3; CNV ID CONTINGENT NEGATIVE-VARIATION; HUMAN BRAIN; NEURAL RESPONSES; VARIATION CNV; STROOP TASK; P300; STIMULI; ASYMMETRIES; EXPECTANCY; ACTIVATION AB Temporal correlates of the brain circuit underlying reward processing in healthy adults remain unclear. The current study investigated the P3 and contingent negative variation (CNV) as putative reward-related temporal markers. The effect of sustained monetary reward on these event-related potentials and on behavior was assessed using a warned reaction-time paradigm in 16 young healthy subjects. Monetary reward (0, 1 and 45 cents) varied across blocks of trials. While the CNV was unaffected by money, P3 amplitude was significantly larger for 45 than the 1 and 0 cent conditions. This effect corresponded to the monotonically positive subjective ratings of interest and excitement on the task (45 > 1 > 0). These findings suggest a difference between the P3 and CNV; the P3 is sensitive to the sustained effect of relative reward value, while the CNV does not vary with reward magnitude. (c) 2006 Elsevier B.V All rights reserved. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. SUNY Stony Brook, Stony Brook, NY 11794 USA. NIDA, Bethesda, MD 20892 USA. RP Goldstein, RZ (reprint author), Brookhaven Natl Lab, POB 5000, Upton, NY 11973 USA. EM rgoldstein@bnl.gov FU NCRR NIH HHS [M01 RR010710-070110, M01 RR010710, 5-M01-RR-10710]; NIAAA NIH HHS [R01 AA009481-06, AA/ODO9481-04]; NIDA NIH HHS [R01 DA006891-03, T32 DA007316, T32 DA07316-01A1, DA06891-06, R01 DA006891, T32 DA007316-01A1, K23 DA015517-01, K23 DA015517, 1K23 DA15517-01] NR 46 TC 44 Z9 50 U1 4 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-8760 J9 INT J PSYCHOPHYSIOL JI Int. J. Psychophysiol. PD NOV PY 2006 VL 62 IS 2 BP 272 EP 279 DI 10.1016/j.ijpsycho.2006.05.006 PG 8 WC Psychology, Biological; Neurosciences; Physiology; Psychology; Psychology, Experimental SC Psychology; Neurosciences & Neurology; Physiology GA 097XB UT WOS:000241481700009 PM 16876894 ER PT J AU Gustavsson, M Wang, H Trejo, RM Lara-Curzio, E Dinwiddie, RB Gustafsson, SE AF Gustavsson, M. Wang, H. Trejo, R. M. Lara-Curzio, E. Dinwiddie, R. B. Gustafsson, S. E. TI On the use of the transient hot-strip method for measuring the thermal conductivity of high-conducting thin bars SO INTERNATIONAL JOURNAL OF THERMOPHYSICS LA English DT Article; Proceedings Paper CT 17th European Conference on Thermophysical Properties CY SEP 05-08, 2005 CL Bratislava, SLOVAKIA SP Slovak Acad Sci, Inst Phys, Univ Nitra, Univ Pau DE hot-strip; non-destructive testing; quality control; reinforced carbon-carbon; thermal conductivity; thermal degradation ID TRANSPORT-PROPERTIES; CONSTANTS ANALYZER; DIFFUSIVITY; EFFUSIVITY; SOLIDS AB The thermal conductivity of thin, high-conducting ceramic bars - commonly used in mechanical tensile testing - is measured using a variant of the short transient hot-strip technique. As with similar contact transient methods, the influence from the thermal contact resistance between the sensor and the sample is accurately recorded and filtered out from the analysis - a specific advantage that enables sensitive measurements of the bulk properties of the sample material. The present concept requires sensors that are square in shape with one side having the same width as the bar to be studied. As long as this requirement is fulfilled, the particular size of the thin bar can be selected at will. This paper presents an application where the present technique is applied to study structural changes or degradation in reinforced carbon-carbon (RCC) bars exposed to thermal cycling. Simultaneously, tensile testing and monitoring of mass loss are conducted. The results indicate that the present approach may be utilized as a non-destructive quality control instrument to monitor local structural changes in RCC panels. C1 CIT Fdn, SE-41288 Gothenburg, Sweden. Oak Ridge Natl Lab, Oak Ridge, TN USA. Chalmers, Dept Phys, SE-41296 Gothenburg, Sweden. RP Gustavsson, M (reprint author), CIT Fdn, Chalmers Sci Pk, SE-41288 Gothenburg, Sweden. EM Gustavsson@cit.chalmers.se RI Wang, Hsin/A-1942-2013 OI Wang, Hsin/0000-0003-2426-9867 NR 17 TC 15 Z9 17 U1 0 U2 10 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0195-928X J9 INT J THERMOPHYS JI Int. J. Thermophys. PD NOV PY 2006 VL 27 IS 6 BP 1816 EP 1825 DI 10.1007/s10765-006-0072-z PG 10 WC Thermodynamics; Chemistry, Physical; Mechanics; Physics, Applied SC Thermodynamics; Chemistry; Mechanics; Physics GA 111EP UT WOS:000242434500013 ER PT J AU Lin, WS Huang, YW Zhou, XD Ma, YF AF Lin, Weisheng Huang, Yue-wern Zhou, Xiao-Dong Ma, Yinfa TI Toxicity of cerium oxide nanoparticles in human lung cancer cells SO INTERNATIONAL JOURNAL OF TOXICOLOGY LA English DT Article DE cerium oxide (CeO2); cytotoxicity; lung cancer cells (A549); nanoparticles; oxidative stress ID COMPARATIVE PULMONARY TOXICITY; TITANIUM-DIOXIDE PARTICLES; WALL CARBON NANOTUBES; OXIDATIVE STRESS; CEO2 PARTICLES; SURFACE-AREA; CYTOTOXICITY; SIZE; GLUTATHIONE; IMPACT AB With the fast development of nanotechnology, the nanomaterials start to cause people's attention for potential toxic effect. In this paper, the cytotoxicity and oxidative stress caused by 20-nm cerium oxide (CeO2) nanoparticles in cultured human lung cancer cells was investigated. The sulforhodamine B method was employed to assess cell viability after exposure to 3.5, 10.5, and 23.3 mu g/ml of CeO2 nanoparticles for 24, 48, and 72 h. Cell viability decreased significantly as a function of nanoparticle dose and exposure time. Indicators of oxidative stress and cytotoxicity, including total reactive oxygen species, glutathione, malondialdehyde, alpha-tocopherol, and lactate dehydrogenase, were quantitatively assessed. It is concluded from the results that free radicals generated by exposure to 3.5 to 23.3 mu g/ml CeO2 nanoparticles produce significant oxidative stress in the cells, as reflected by reduced glutathione and alpha-tocopherol levels; the toxic effects of CeO2 nanoparticles are dose dependent and time dependent; elevated oxidative stress increases the production of malondialdehyde and lactate dehydrogenase, which are indicators of lipid peroxidation and cell membrane damage, respectively. C1 Univ Missouri, Dept Chem, Rolla, MO 65409 USA. Univ Missouri, Environm Res Ctr Emerging Contaminants, Rolla, MO 65409 USA. Univ Missouri, Dept Biol Sci, Rolla, MO 65401 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Ma, YF (reprint author), Univ Missouri, Dept Chem, Rolla, MO 65409 USA. EM yinfa@umr.edu NR 50 TC 211 Z9 220 U1 12 U2 80 PU SAGE PUBLICATIONS INC PI THOUSAND OAKS PA 2455 TELLER RD, THOUSAND OAKS, CA 91320 USA SN 1091-5818 EI 1092-874X J9 INT J TOXICOL JI Int. J. Toxicol. PD NOV-DEC PY 2006 VL 25 IS 6 BP 451 EP 457 DI 10.1080/10915810600959543 PG 7 WC Pharmacology & Pharmacy; Toxicology SC Pharmacology & Pharmacy; Toxicology GA 109YZ UT WOS:000242346800002 PM 17132603 ER PT J AU Shamoto, SI Kodama, K Iikubo, S Taguchi, TU Yamada, N Proffen, T AF Shamoto, Shin-ichi Kodama, Katsuaki Iikubo, Satoshi Taguchi, Tomitsugu Yamada, Noboru Proffen, Thomas TI Local crystal structures of Ge(2)Sb(2)Te5 revealed by the atomic pair distribution function analysis SO JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS LA English DT Article DE optical recording material; DVD; PDF; Rietveld analysis; band calculation; Ge2Sb2Te5 ID THIN-FILMS; PHASE-TRANSITIONS; MICROSCOPY; GE2SB2TE5; MEMORY; ALLOY AB Two types of optical recording crystalline material Ge2Sb2Te5 have been studied by neutron and X-ray powder diffraction measurements. One is the crystalline cubic-phase Ge2Sb2Te5. The other is nanocrystalline-phase Ge2Sb2Te5. In the former, a large atomic displacement of germanium atoms was found by the atomic pair distribution function (PDF) analysis of neutron powder diffraction data. According to the electronic band structure calculation of isoelectronic GeTe, the electrical conductivity at the valence band with holes is not severely affected by the randomness at the cation site, whereas the thermal conductivity is significantly reduced by the randomness. For the nanocrystalline phase, the local crystal structure and the particle size distribution were obtained simultaneously by PDF analysis using a spherical-particle form factor. The lattice parameter is longer than that of the crystalline phase, suggesting an antimony-richer composition than the matrix. This compositional deviation would form the nanoparticle, resulting in nucleation-dominated crystal growth. C1 Japan Atom Energy Agcy, Quantum Beam Sci, Tokai, Ibaraki 3191195, Japan. Matsushita Elect Ind Co Ltd, AV Core Technol Dev Ctr, Osaka 5708501, Japan. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Shamoto, SI (reprint author), Japan Atom Energy Agcy, Quantum Beam Sci, Tokai, Ibaraki 3191195, Japan. EM shamoto.shinichi@jaea.go.jp RI Lujan Center, LANL/G-4896-2012; Proffen, Thomas/B-3585-2009 OI Proffen, Thomas/0000-0002-1408-6031 NR 21 TC 11 Z9 11 U1 2 U2 12 PU INST PURE APPLIED PHYSICS PI TOKYO PA 5F YUSHIMA BLDG, 2-31-22 YUSHIMA, BUNKYO-KU, TOKYO, 113-0034, JAPAN SN 0021-4922 J9 JPN J APPL PHYS 1 JI Jpn. J. Appl. Phys. Part 1 - Regul. Pap. Brief Commun. Rev. Pap. PD NOV PY 2006 VL 45 IS 11 BP 8789 EP 8794 DI 10.1143/JJAP.45.87891 PG 6 WC Physics, Applied SC Physics GA 109QJ UT WOS:000242323200055 ER PT J AU Grant, G AF Grant, Glenn TI Low-cost composites in automotive and heavy vehicle manufacture SO JOM LA English DT Editorial Material C1 Pacific NW Natl Lab, Richland, WA 99352 USA. TMS, Struct Mat Div, Warrendale, PA USA. RP Grant, G (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. NR 0 TC 0 Z9 0 U1 1 U2 1 PU MINERALS METALS MATERIALS SOC PI WARRENDALE PA 184 THORN HILL RD, WARRENDALE, PA 15086 USA SN 1047-4838 J9 JOM-US JI JOM PD NOV PY 2006 VL 58 IS 11 BP 66 EP 66 DI 10.1007/s11837-006-0230-6 PG 1 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA 104AN UT WOS:000241928400008 ER PT J AU Sullivan, RA AF Sullivan, Rogelio A. TI Automotive carbon fiber: Opportunities and challenges SO JOM LA English DT Article AB The carbon fiber industry is growing, with steadily increasing demand from the aerospace and defense markets as well as smaller markets such as sporting goods and construction materials. Infiltration of the automotive market remains a challenge, however and so the U.S. Department of Energy's (DOE) FreedomCAR program has made the development of low-cost automotive-grade carbon fiber its highest priority for materials research. The DOE effort is currently focused on three objectives: developing low-cost carbonfiber precursors, low-cost conversion methods, and high-throughput fabrication processes. C1 US DOE, Washington, DC 20585 USA. RP Sullivan, RA (reprint author), US DOE, 1000 Independence Ave SW, Washington, DC 20585 USA. EM Rogelio.Sullivan@EE.DOE.GOV NR 0 TC 3 Z9 4 U1 1 U2 7 PU MINERALS METALS MATERIALS SOC PI WARRENDALE PA 184 THORN HILL RD, WARRENDALE, PA 15086 USA SN 1047-4838 J9 JOM-US JI JOM PD NOV PY 2006 VL 58 IS 11 BP 77 EP 79 DI 10.1007/s11837-006-0233-3 PG 3 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA 104AN UT WOS:000241928400011 ER PT J AU Holbery, J Houston, D AF Holbery, James Houston, Dan TI Natural-fiber-reinforced polymer composites applications in automotive SO JOM LA English DT Article ID INTERFACE; FLAX AB In the past decade, natural-fiber composites with thermoplastic and thermoset matrices have been embraced by European car manufacturers and suppliers for door panels, seat backs, headliners, package trays, dashboards, and interior parts. Natural fibers such as kenaf hemp, flax, jute, and sisal offer such benefits as reductions in weight, cost, and CO2, less reliance on foreign oil sources, and recyclability. However, several major technical considerations must be addressed before the engineering, scientific, and commercial communities gain the confidence to enable wide-scale acceptance, particularly in exterior parts where a Class A surface finish is required. Challenges include the homogenization of the fiber's properties and a full understanding of the degree of polymerization and crystallization, adhesion between the fiber and matrix, moisture repellence, and flame-retardant properties, to name but a few. C1 Pacific NW Natl Lab, Energy Sci & Technol Dept, Richland, WA 99352 USA. Ford Motor Co, Mfg & Proc RIC Dept, Dearborn, MI 48121 USA. RP Holbery, J (reprint author), Pacific NW Natl Lab, Energy Sci & Technol Dept, 509 Battelle Blvd, Richland, WA 99352 USA. EM james.holbery@pnl.gov NR 16 TC 229 Z9 232 U1 8 U2 8 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 EI 1543-1851 J9 JOM-US JI JOM PD NOV PY 2006 VL 58 IS 11 BP 80 EP 86 DI 10.1007/s11837-006-0234-2 PG 7 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA 104AN UT WOS:000241928400012 ER PT J AU Fialho, P Freitas, MC Barata, F Vieira, B Hansen, ADA Honrath, RE AF Fialho, P. Freitas, M. C. Barata, F. Vieira, B. Hansen, A. D. A. Honrath, R. E. TI The Aethalometer calibration and determination of iron concentration in dust aerosols SO JOURNAL OF AEROSOL SCIENCE LA English DT Article DE aethalometer calibration; absorption coefficient; black carbon; Sahara dust; PICO-NARE; seven-wavelength aethalometer; INAA technique; hematite; iron oxides ID PARTICULATE MATTER; ABSORPTION; CARBON; PARTICLES; FILTERS; AREAS AB This paper shows the use of the instrumental neutron activation analysis (INAA) technique to calibrate Aethalometer instruments' response to iron oxides present in Saharan dust aerosol. The five samples selected for this calibration were collected with a seven-wavelength Aethalometer (model AE31) at the summit of Pico mountain (2225 m ASL) in the Azores Islands. These samples correspond to measurements taken between the 31 October and 5 November, 2001. Analysis of these samples by the INAA technique gave a total mass of 14.84 +/- 0.70 mu g (Fe). Correlation of the analytical results with the optical measurements allowed the determination of the elemental iron calibration constant, K-Fe (0.234 +/- 0.022 mu m(4) m(2) g(-1)), which can be used in the determination of iron concentrations from multi-wavelength Aethalometer measurements. As an example of this, we used Aethalometer measurements during the 2001 event to calculate hourly average dust iron, (C-Fe), concentrations, which range from 0.00 and 1.77 mu g (Fe) m(-3). (C) 2006 Elsevier Ltd. All rights reserved. C1 Univ Acores, Grp Quim & Fis Atmosfera, PT-9701851 Terra Cha, Portugal. ENIO Sacavem, Inst Tecnol & Nucl Reactor, PT-2685953 Sacavem, Portugal. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Michigan Technol Univ, Dept Civil & Environm Engn, Houghton, MI 49931 USA. RP Fialho, P (reprint author), Univ Acores, Grp Quim & Fis Atmosfera, PT-9701851 Terra Cha, Portugal. EM paulo.fialho@mail.angra.uac.pt OI Fialho, Paulo/0000-0001-9137-3870 NR 28 TC 29 Z9 31 U1 0 U2 5 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0021-8502 J9 J AEROSOL SCI JI J. Aerosol. Sci. PD NOV PY 2006 VL 37 IS 11 BP 1497 EP 1506 DI 10.1016/j.jaerosci.2006.03.002 PG 10 WC Engineering, Chemical; Engineering, Mechanical; Environmental Sciences; Meteorology & Atmospheric Sciences SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 111WY UT WOS:000242487800007 ER PT J AU Lewis, ER AF Lewis, Ernie R. TI The effect of surface tension (Kelvin effect) on the equilibrium radius of a hygroscopic aqueous aerosol particle SO JOURNAL OF AEROSOL SCIENCE LA English DT Article DE Kelvin effect; surface tension; hygroscopicity; relative humidity; growth factor ID RELATIVE-HUMIDITY; THERMODYNAMIC PROPERTIES; HIGH SUPERSATURATION; WATER-CONTENT; LOS-ANGELES; SIZE; DROPLETS; GROWTH; MODEL AB The effect of surface tension (the Kelvin effect) on the equilibrium radius of an aqueous solution drop at fractional relative humidity h less than unity is analyzed mathematically. Expressions for the lowest-order corrections to the equilibrium radius and radius ratio (relative to the volume-equivalent dry radius r(dry)) due to the Kelvin effect are presented and compared with data for solution drops of ammonium sulfate and sodium chloride. To lowest order the decrease in equilibrium radius resulting from the Kelvin effect is independent of the amount of solute in the drop and is approximated to good accuracy by Delta r/nm = -(h/3)1(1 - h), with only weak dependences on solute and temperature. The importance of the Kelvin effect on drop radius is further quantified in several ways. The value of the volume-equivalent dry radius below which the Kelvin effect results in more than a 5% decrease in the equilibrium radius of a solution drop at given It is approximately r(dry,5%)/nm = 8h/(1 - h)(2/3). The decrease in the hygroscopic growth factor g of an aqueous solution drop between a low relative humidity and h = 0.9 resulting from the Kelvin effect is given approximately by Delta g = -(3 nm)/r(dry), again with only weak dependences on solute and temperature. These approximations compare well with measurements of growth factors of ammonium sulfate solution drops for dry radius as low as 10 nm. These findings, all of which are presented for fractional relative humidity as the independent variable, allow the magnitude of the Kelvin effect and its consequences on the properties of an aqueous solution drop to be readily assessed. (C) 2006 Elsevier Ltd. All rights reserved. C1 Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA. RP Lewis, ER (reprint author), Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA. EM elewis@bnl.gov NR 28 TC 19 Z9 20 U1 4 U2 19 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0021-8502 J9 J AEROSOL SCI JI J. Aerosol. Sci. PD NOV PY 2006 VL 37 IS 11 BP 1605 EP 1617 DI 10.1016/j.jaerosci.2006.04.001 PG 13 WC Engineering, Chemical; Engineering, Mechanical; Environmental Sciences; Meteorology & Atmospheric Sciences SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 111WY UT WOS:000242487800015 ER PT J AU Winne, CT Willson, JD Gibbons, JW AF Winne, Christopher T. Willson, John D. Gibbons, J. Whitfield TI Income breeding allows an aquatic snake Seminatrix pygaea to reproduce normally following prolonged drought-induced aestivation SO JOURNAL OF ANIMAL ECOLOGY LA English DT Article DE climatic variation; foraging ecology; migration; reproductive allocation; reptile ID EVAPORATIVE WATER-LOSS; BLACK SWAMP SNAKE; VIVIPAROUS SNAKE; FOOD-INTAKE; METABOLIC DEPRESSION; POPULATION-STRUCTURE; TROPICAL AUSTRALIA; ARAFURA FILESNAKES; CHELODINA-RUGOSA; NERODIA-SIPEDON AB 1. Capital breeding is an ideal reproductive strategy for many ectotherms because it provides a disassociation between feeding and reproduction, a necessary requirement for animals that become anorexic during pregnancy. Among ectotherms, some viviparous snakes (e.g. Viperidae) exemplify the capital breeding strategy because many species (i) do not feed during pregnancy due to behavioural conflicts between reproduction and foraging, and (ii) take more than one season to accumulate sufficient energetic stores for reproduction. 2. Isolated wetlands often exhibit extreme annual fluctuations in environmental conditions with prolonged droughts periodically leaving wetlands completely dry and devoid of prey. Following droughts, however, wetlands can be extremely productive, rendering prey resources virtually unlimited for some species. 3. This study examines drought survival strategy and reproductive ecology of a small aquatic snake Seminatrix pygaea (Cope) in an isolated wetland. Seminatrix pygaea are atypical from most sympatric snake species in that (i) their small body size, reliance on aquatic prey, and high rates of evaporative water loss make them ill-suited to overland movement, and (ii) they may not be subject to costs typically associated with feeding during pregnancy. 4. We hypothesized that S. pygaea would survive periodic multiyear droughts by aestivating within the dried wetland, a survival strategy heretofore undocumented in snakes. Further, we hypothesized that if S. pygaea rely on 'typical' snake reproductive strategies of 'adaptive anorexia' and capital breeding, reproductive output would be reduced in the first wet year following drought. 5. By encircling a 10-ha wetland with a continuous drift fence before it refilled we were able to demonstrate that S. pygaea were present within the dried wetland prior to the onset of spring rains that refilled the wetland in 2003. Our results suggest that S. pygaea are capable of surviving multiyear droughts by aestivating within the dried wetland. 6. Despite having presumably depleted energy reserves during the drought, S. pygaea reproduced with the same frequency and fecundity during the first season following refilling of the wetland as in pre-drought years. 7. The ability of S. pygaea to rebound rapidly from the stresses of prolonged drought is due in part to their reproductive ecology. Seminatrix pygaea readily feed throughout pregnancy and consequently can rapidly translate high prey abundances into reproductive output through income breeding. C1 Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. RP Winne, CT (reprint author), Univ Georgia, Savannah River Ecol Lab, Drawer E, Aiken, SC 29802 USA. EM winne@srel.edu NR 64 TC 29 Z9 30 U1 1 U2 16 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0021-8790 J9 J ANIM ECOL JI J. Anim. Ecol. PD NOV PY 2006 VL 75 IS 6 BP 1352 EP 1360 DI 10.1111/j.1365-2656.2006.01159.x PG 9 WC Ecology; Zoology SC Environmental Sciences & Ecology; Zoology GA 093HI UT WOS:000241158600013 PM 17032367 ER PT J AU Bersuker, G Park, CS Barnett, J Lysaght, PS Kirsch, PD Young, CD Choi, R Lee, BH Foran, B van Benthem, K Pennycook, SJ Lenahan, PM Ryan, JT AF Bersuker, G. Park, C. S. Barnett, J. Lysaght, P. S. Kirsch, P. D. Young, C. D. Choi, R. Lee, B. H. Foran, B. van Benthem, K. Pennycook, S. J. Lenahan, P. M. Ryan, J. T. TI The effect of interfacial layer properties on the performance of Hf-based gate stack devices SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID SILICON; TRANSISTORS AB The influence of Hf-based dielectrics on the underlying SiO(2) interfacial layer (IL) in high-k gate stacks is investigated. An increase in the IL dielectric constant, which correlates to an increase of the positive fixed charge density in the IL, is found to depend on the starting, pre-high-k deposition thickness of the IL. Electron energy-loss spectroscopy and electron spin resonance spectra exhibit signatures of the high-k-induced oxygen deficiency in the IL consistent with the electrical data. It is concluded that high temperature processing generates oxygen vacancies in the IL responsible for the observed trend in transistor performance. (c) 2006 American Institute of Physics. C1 SEMATECH, Front End Proc Div, Austin, TX 78741 USA. ATDF, Phys Characterizat Lab, Austin, TX 78741 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Penn State Univ, University Pk, PA 16802 USA. RP Bersuker, G (reprint author), SEMATECH, Front End Proc Div, 2706 Montopolis Dr, Austin, TX 78741 USA. EM gennadi.bersuker@sematech.org RI Young, Chadwin/K-7326-2012 OI Young, Chadwin/0000-0003-0690-7423 NR 25 TC 103 Z9 104 U1 1 U2 12 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD NOV 1 PY 2006 VL 100 IS 9 AR 094108 DI 10.1063/1.2362905 PG 6 WC Physics, Applied SC Physics GA 105OO UT WOS:000242041500077 ER PT J AU Du, YG Groves, JF Lyubinetsky, I Baer, DR AF Du, Yingge Groves, James F. Lyubinetsky, Igor Baer, Donald R. TI Formation of Cu(2)O quantum dots on SrTiO(3) (100): Self-assembly and directed self-assembly SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID OXIDE NANODOTS; ISLANDS; EVOLUTION; SURFACE; GROWTH; FILMS; NUCLEATION; MICROSCOPY AB Cu(2)O quantum dots (QDs) have been synthesized on single crystal SrTiO(3) (100) substrates with focused ion beam (FIB) modification using oxygen plasma-assisted molecular beam epitaxy. In a set of experiments, QD growth location has been controlled using FIB implants to modify the growth surface in discrete locations prior to dot synthesis. Atomic force microscopy has been used to characterize this directed self-assembly of oxide QDs. QDs have been observed to form first in the FIB generated surface features, filling those features before additional QDs have nucleated on neighboring, unmodified surface regions. The nature of the QDs on the modified surface is compared to those grown on unmodified substrate regions. While FIB modification provides lateral control over QDs, the QDs formed on the undamaged surfaces were more uniform in shape and size than those that nucleated in the FIB produced pits. (c) 2006 American Institute of Physics. C1 Univ Virginia, Dept Mat Sci & Engn, Charlottesville, VA 22904 USA. PNNL, Richland, WA 99352 USA. RP Groves, JF (reprint author), Univ Virginia, Dept Mat Sci & Engn, Charlottesville, VA 22904 USA. EM jgroves@virginia.edu RI Baer, Donald/J-6191-2013 OI Baer, Donald/0000-0003-0875-5961 NR 23 TC 11 Z9 11 U1 2 U2 6 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD NOV 1 PY 2006 VL 100 IS 9 AR 094315 DI 10.1063/1.2364038 PG 5 WC Physics, Applied SC Physics GA 105OO UT WOS:000242041500093 ER PT J AU Ellis, TS Park, KT Ulrich, MD Hulbert, SL Rowe, JE AF Ellis, Trinity S. Park, Kenneth T. Ulrich, Marc D. Hulbert, Steven L. Rowe, Jack E. TI Interaction of metallophthalocyanines (MPc, M=Co, Ni) on Au(001): Ultraviolet photoemission spectroscopy and low energy electron diffraction study SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID SCANNING-TUNNELING-MICROSCOPY; 100 CRYSTAL FACES; COPPER-PHTHALOCYANINE; PHOTOELECTRON-SPECTROSCOPY; THIN-FILMS; SURFACE RECONSTRUCTIONS; VALENCE-BAND; GOLD; MOLECULES; AU(111) AB Thin films of metallophthalocyanine (MPc,M=Co,Ni) evaporated onto a "5x20" reconstructed Au(001) substrate at room temperature have been investigated by employing low energy electron diffraction (LEED) and ultraviolet photoelectron spectroscopy (UPS). The LEED images from NiPc thin films show that the overlayers are highly ordered with a square unit cell of 12.8x12.8 A(2) aligned along the < 110 > and < 1 (1) over bar0 > axes of the Au(001) substrate. For CoPc, the LEED pattern reveals the superposition of multiple rotationally equivalent domains of a 12.9x12.9 A(2) square lattice which are rotated by 16 degrees with respect to each other. The contrast between NiPc and CoPc on Au(001) is further demonstrated in the interfacial electronic structure. UPS studies of the interfacial layers of NiPc deposited on the hexagonally reconstructed gold substrate indicate that NiPc physisorbs on the gold surface as evidenced by a uniform molecular orbital (MO) shift. The CoPc MO's, on the other hand, indicates a charge transfer at the interface, evidenced by the 13a(1g) MO interacting with the Au surface. (c) 2006 American Institute of Physics. C1 Baylor Univ, Dept Phys, Waco, TX 76798 USA. USA, Res Off, Res Triangle Pk, NC 27709 USA. Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. Univ N Carolina, Dept Chem, Chapel Hill, NC 27599 USA. RP Park, KT (reprint author), Baylor Univ, Dept Phys, Waco, TX 76798 USA. EM kenneth_park@baylor.edu NR 35 TC 42 Z9 43 U1 1 U2 26 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD NOV 1 PY 2006 VL 100 IS 9 AR 093515 DI 10.1063/1.2364034 PG 10 WC Physics, Applied SC Physics GA 105OO UT WOS:000242041500028 ER PT J AU Han, SH Levi, D AF Han, Sung-Ho Levi, Dean TI Comment on "Optical characterization of CuIn1-xGaxSe2 alloy thin films by spectroscopic ellipsometry" [J. Appl. Phys. 94, 879 (2003)] SO JOURNAL OF APPLIED PHYSICS LA English DT Editorial Material ID DIFFERENTIATION AB A method to determine the optical functions of thin-film CuIn1-xGaxSe2 alloys was provided in the paper "Optical characterization of CuIn1-xGaxSe2 alloy thin films by spectroscopic ellipsometry." The optical functions were obtained and the effect of Ga content on the electronic transitions of CuIn1-xGaxSe2 was discussed. We indicate the mistake of their method in determining the critical point energies and discuss the reason for using standard analytic line shape, epsilon(omega)=C-Ae(i phi)(omega-E+i Gamma)(n), in this comment. (c) 2006 American Institute of Physics. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Han, SH (reprint author), Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. EM han@physics.ucsd.edu RI Han, Sung-Ho/B-7678-2008 NR 10 TC 0 Z9 0 U1 1 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD NOV 1 PY 2006 VL 100 IS 9 AR 096102 DI 10.1063/1.2374223 PG 2 WC Physics, Applied SC Physics GA 105OO UT WOS:000242041500122 ER PT J AU Lee, B Wang, LW AF Lee, Byounghak Wang, Lin Wang TI Band gap bowing and electron localization of GaxIn1-xN SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID DENSITY-FUNCTIONAL CALCULATIONS; ALLOYS; INN; PSEUDOPOTENTIALS; SEMICONDUCTORS; ZINCBLENDE; NITRIDES; DIODES AB The band gap bowing and the electron localization of GaxIn1-xN are calculated using both the local density approximation (LDA) and screened-exchange local density functional (sX-LDA) methods. The calculated sX-LDA band gaps are in good agreement with the experimentally observed values, with errors of -0.26 and 0.09 eV for bulk GaN and InN, respectively. The LDA band gap errors are 1.33 and 0.81 eV for GaN and InN, in order. In contrast to the gap itself, the band gap bowing parameter is found to be very similar in sX-LDA and LDA. We identify the localization of hole states in GaxIn1-xN alloys along In-N-In chains. The predicted localization is stronger in sX-LDA. (c) 2006 American Institute of Physics. C1 Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. RP Lee, B (reprint author), Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. EM bhlee@lbl.gov NR 23 TC 24 Z9 24 U1 1 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD NOV 1 PY 2006 VL 100 IS 9 AR 093717 DI 10.1063/1.2364450 PG 4 WC Physics, Applied SC Physics GA 105OO UT WOS:000242041500055 ER PT J AU Liu, HZ Tse, JS Mao, HK AF Liu, Haozhe Tse, John S. Mao, Ho-kwang TI Stability of rocksalt phase of zinc oxide under strong compression: Synchrotron X-ray diffraction experiments and first-principles calculation studies SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID HIGH-PRESSURE PHASE; ELECTRONIC-STRUCTURE; ZNO; SEMICONDUCTORS; NANOCRYSTALS AB The stability of rocksalt (B1) phase of ZnO under high pressure up to 2 Mbars was studied using angular dispersive x-ray diffraction at room temperature and compared to the structurally analogous CdO where both theoretical and experimental results are available. First-principles total energy calculations predict the B1-to-B2 (CsCl-type) phase transition in ZnO and CdO to occur at 261 and 83 GPa, respectively. The bulk moduli, K-0, of the B1 structure of ZnO were measured and the possible high pressure CsCl-type (B2) structure was looked for. The potential application of ZnO as an internal pressure marker in x-ray diffraction study at the megabar range is proposed. (c) 2006 American Institute of Physics. C1 Argonne Natl Lab, HPCAT, Carnegie Inst Washington, Adv Photon Source, Argonne, IL 60439 USA. Carnegie Inst Sci, Geophys Lab, Washington, DC 20015 USA. Univ Saskatchewan, Dept Phys & Engn Phys, Saskatoon, SK S7N 5E2, Canada. RP Liu, HZ (reprint author), Argonne Natl Lab, HPCAT, Carnegie Inst Washington, Adv Photon Source, Bldg 434E, Argonne, IL 60439 USA. EM hliu@hpcat.aps.anl.gov RI Liu, Haozhe/E-6169-2011 NR 33 TC 43 Z9 44 U1 0 U2 11 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD NOV 1 PY 2006 VL 100 IS 9 AR 093509 DI 10.1063/1.2357644 PG 5 WC Physics, Applied SC Physics GA 105OO UT WOS:000242041500022 ER PT J AU Wang, Q Teplin, CW Stradins, P To, B Jones, KM Branz, HM AF Wang, Qi Teplin, Charles W. Stradins, Paul To, Bobby Jones, Kim M. Branz, Howard M. TI Significant improvement in silicon chemical vapor deposition epitaxy above the surface dehydrogenation temperature SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID ION-ASSISTED DEPOSITION; SI; GROWTH; FILMS; SI(100); LAYERS; HOMOEPITAXY; MODEL AB We observe an order of magnitude increase in both the rate and achievable thickness of epitaxy by hot-wire chemical vapor deposition at temperatures above the dehydrogenation temperature of the silicon surface. We deposit silicon films on (100) silicon at 110 nm/min at substrate temperatures between 520 and 645 degrees C. At the glass compatible temperature of 610 degrees C, we observe phase-pure epitaxial growth of more than 10 mu m, as observed by x-ray diffraction and transmission electron microscopy, in contrast to the mixed-phase breakdown seen at lower temperatures. In 610 degrees C films thicker than 4 mu m, a stable (100)-epitaxial growth mode produces regular surface pyramids with vicinal < 311 > facets. On the low-energy (111) face of Si, more than 2 mu m of epitaxial Si were grown at 645 degrees C, but some twinning is observed. The temperature of this new growth regime suggests that rapid dehydrogenation of the growing surface is critical for silicon epitaxy by CVD. (c) 2006 American Institute of Physics. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Wang, Q (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM qi_wang@nrel.gov; charles_teplin@nrel.gov NR 22 TC 22 Z9 23 U1 2 U2 8 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD NOV 1 PY 2006 VL 100 IS 9 AR 093520 DI 10.1063/1.2363766 PG 5 WC Physics, Applied SC Physics GA 105OO UT WOS:000242041500033 ER PT J AU Reda, I Hickey, JR Grobner, J Andreas, A Stoffel, T AF Reda, Ibrahim Hickey, John R. Groebner, Julian Andreas, Afshin Stoffel, Tom TI Calibrating pyrgeometers outdoors independent from the reference value of the atmospheric longwave irradiance (vol 68, pg 1416, 2006) SO JOURNAL OF ATMOSPHERIC AND SOLAR-TERRESTRIAL PHYSICS LA English DT Correction C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. Eppley Lab, Newport, RI USA. RP Reda, I (reprint author), Natl Renewable Energy Lab, 1 DOE 1617 Cole Blvd, Golden, CO 80401 USA. EM ibrahim_reda@nrel.gov NR 1 TC 0 Z9 0 U1 0 U2 0 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1364-6826 J9 J ATMOS SOL-TERR PHY JI J. Atmos. Sol.-Terr. Phys. PD NOV PY 2006 VL 68 IS 16 BP 1850 EP 1850 DI 10.1016/j.jastp.2006.08.001 PG 1 WC Geochemistry & Geophysics; Meteorology & Atmospheric Sciences SC Geochemistry & Geophysics; Meteorology & Atmospheric Sciences GA 112LV UT WOS:000242528400006 ER PT J AU Lechno-Yossef, S Fan, Q Ehira, S Sato, N Wolk, CP AF Lechno-Yossef, Sigal Fan, Qing Ehira, Shigeki Sato, Naoki Wolk, C. Peter TI Mutations in four regulatory genes have interrelated effects on heterocyst maturation in Anabaena sp strain PCC 7120 SO JOURNAL OF BACTERIOLOGY LA English DT Article ID BLUE-GREEN-ALGA; CYANOBACTERIUM-ANABAENA; PCC 7120; PATTERN-FORMATION; ESCHERICHIA-COLI; NITROGEN-FIXATION; BINDING PROTEINS; MICROARRAY DATA; CELL-ENVELOPE; DIFFERENTIATION AB Regulatory genes hepK, hepN, henR, and hepS are required for heterocyst maturation in Anabaena sp. strain PCC 7120. They presumptively encode two histidine kinases, a response regulator, and a serine/threonine kinase, respectively. To identify relationships between those genes, we compared global patterns of gene expression, at 14 h after nitrogen step-down, in corresponding mutants and in the wild-type strain. Heterocyst envelopes of mutants affected in any of those genes lack a homogeneous, polysaccharide layer. Those of a henR mutant also lack a glycolipid layer. patA, which encodes a positive effector of heterocyst differentiation, was up-regulated in all mutants except the hepK mutant, suggesting that pat,4 expression may be inhibited by products related to heterocyst development. hepS and hepK were up-regulated if mutated and so appear to be negatively autoregulated. HepS and HenR regulated a common set of genes and so appear to belong to one regulatory system. Some nontranscriptional mechanism may account for the observation that henR mutants lack, and hepS mutants possess, a glycolipid layer, even though both mutations down-regulated genes involved in formation of the glycolipid layer. HepK and HepN also affected transcription of a common set of genes and therefore appear to share a regulatory pathway. However, the transcript abundance of other genes differed very significantly from expression in the wild-type strain in either the hepK or hepN mutant while differing very little from wild-type expression in the other of those two mutants. Therefore, hepK and hepN appear to participate also in separate pathways. C1 Michigan State Univ, DOE Plant Res Lab, E Lansing, MI 48824 USA. Michigan State Univ, Dept Plant Biol, E Lansing, MI 48824 USA. Univ Tokyo, Grad Sch Arts & Sci, Dept Life Sci, Tokyo, Japan. RP Wolk, CP (reprint author), Michigan State Univ, DOE Plant Res Lab, E Lansing, MI 48824 USA. EM wolk@msu.edu RI FAN, QING/G-6356-2012 NR 76 TC 13 Z9 14 U1 1 U2 5 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 J9 J BACTERIOL JI J. Bacteriol. PD NOV PY 2006 VL 188 IS 21 BP 7387 EP 7395 DI 10.1128/JB.00974-06 PG 9 WC Microbiology SC Microbiology GA 097TM UT WOS:000241471600009 PM 16936023 ER PT J AU Han, CS Xie, G Challacombe, JF Altherr, MR Bhotika, SS Brown, N Bruce, D Campbell, CS Campbell, ML Chen, J Chertkov, O Cleland, C Dimitrijevic, M Doggett, NA Fawcett, JJ Glavina, T Goodwin, LA Green, LD Hill, KK Hitchcock, P Jackson, PJ Keim, P Kewalramani, AR Longmire, J Lucas, S Malfatti, S McMurry, K Meincke, LJ Misra, M Moseman, BL Mundt, M Munk, AC Okinaka, RT Parson-Quintana, B Reilly, LP Richardson, P Robinson, DL Rubin, E Saunders, E Tapia, R Tesmer, JG Thayer, N Thompson, LS Tice, H O Ticknor, L Wills, PL Brettin, TS Gilna, P AF Han, Cliff S. Xie, Gary Challacombe, Jean F. Altherr, Michael R. Bhotika, Smriti S. Brown, Nancy Bruce, David Campbell, Connie S. Campbell, Mary L. Chen, Jin Chertkov, Olga Cleland, Cathy Dimitrijevic, Mira Doggett, Norman A. Fawcett, John J. Glavina, Tijana Goodwin, Lynne A. Green, Lance D. Hill, Karen K. Hitchcock, Penny Jackson, Paul J. Keim, Paul Kewalramani, Avinash Ramesh Longmire, Jon Lucas, Susan Malfatti, Stephanie McMurry, Kim Meincke, Linda J. Misra, Monica Moseman, Bernice L. Mundt, Mark Munk, A. Christine Okinaka, Richard T. Parson-Quintana, B. Reilly, Lee Philip Richardson, Paul Robinson, Donna L. Rubin, Eddy Saunders, Elizabeth Tapia, Roxanne Tesmer, Judith G. Thayer, Nina Thompson, Linda S. Tice, Hope O Ticknor, Lawrence Wills, Patti L. Brettin, Thomas S. Gilna, Paul TI Pathogenomic sequence analysis of Bacillus cereus and Bacillus thuringiensis isolates closely related to Bacillus anthracis (vol 188, pg 3382, 2006) SO JOURNAL OF BACTERIOLOGY LA English DT Correction C1 Los Alamos Natl Lab, DOE Joint Genome Inst, Los Alamos, NM 87545 USA. DOE Joint Genome Inst, Prod Genome Facil, Walnut Creek, CA 94598 USA. Los Alamos Natl Lab, Div Biosci, Los Alamos, NM 87545 USA. Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Los Alamos Natl Lab, Decis Applicat Div, Los Alamos, NM 87545 USA. No Arizona Univ, Dept Biol Sci, Flagstaff, AZ 86011 USA. Los Alamos Natl Lab, ESA Div, Los Alamos, NM 87545 USA. RP Han, CS (reprint author), Los Alamos Natl Lab, DOE Joint Genome Inst, Los Alamos, NM 87545 USA. RI Keim, Paul/A-2269-2010 NR 1 TC 1 Z9 1 U1 2 U2 7 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 J9 J BACTERIOL JI J. Bacteriol. PD NOV PY 2006 VL 188 IS 21 BP 7711 EP 7711 DI 10.1128/JB.01430-06 PG 1 WC Microbiology SC Microbiology GA 097TM UT WOS:000241471600046 ER PT J AU Maeder, DL Anderson, I Brettin, TS Bruce, DC Gilna, P Han, CS Lapidus, A Metcalf, WW Saunders, E Tapia, R Sowers, KR AF Maeder, Dennis L. Anderson, Iain Brettin, Thomas S. Bruce, David C. Gilna, Paul Han, Cliff S. Lapidus, Alla Metcalf, William W. Saunders, Elizabeth Tapia, Roxanne Sowers, Kevin R. TI The Methanosarcina barkeri genome: Comparative analysis with Methanosarcina acetivorans and Methanosarcina mazei reveals extensive rearrangement within methanosarcinal genomes SO JOURNAL OF BACTERIOLOGY LA English DT Article ID GAS VESICLES; SP-NOV; SINGLE CELLS; ARCHAEA; GROWTH; GENE; IDENTIFICATION; REPLICATION; METHANE; PROTEIN AB We report here a comparative analysis of the genome sequence of Methanosarcina barkeri with those of Methanosarcina acetivorans and Methanosarcina mazei. The genome of M. barkeri is distinguished by having an organization that is well conserved with respect to the other Methanosarcina spp. in the region proximal to the origin of replication, with interspecies gene similarities as high as 95%. However, it is disordered and marked by increased transposase frequency and decreased gene synteny and gene density in the distal semigenome. Of the 3,680 open reading frames (ORFs) in M. barkeri, 746 had homologs with better than 80% identity to both M. acetivorans and M. mazei, while 128 nonhypothetical ORFs were unique (nonorthologous) among these species, including a complete formate dehydrogenase operon, genes required for N-acetylmuramic acid synthesis, a 14-gene gas vesicle cluster, and a bacterial-like P450-specific ferredoxin reductase cluster not previously observed or characterized for this genus. A cryptic 36-kbp plasmid sequence that contains an orc1 gene flanked by a presumptive origin of replication consisting of 38 tandem repeats of a 143-nucleotide motif was detected in M. barkeri. Three-way comparison of these genomes reveals differing mechanisms for the accrual of changes. Elongation of the relatively large M. acetivorans genome is the result of uniformly distributed multiple gene scale insertions and duplications, while the M. barkeri genome is characterized by localized inversions associated with the loss of gene content. In contrast, the short M. mazei genome most closely approximates the putative ancestral organizational state of these species. C1 Univ Maryland, Ctr Marine Biotechnol, Inst Biotechnol, Columbus Ctr, Baltimore, MD 21202 USA. DOE Joint Genome Inst, Walnut Creek, CA 94598 USA. Los Alamos Natl Lab, DOE Joint Genome Inst, Los Alamos, NM 87545 USA. Univ Illinois, Dept Microbiol, Chem & Life Sci Lab B103, Urbana, IL 61801 USA. RP Sowers, KR (reprint author), Univ Maryland, Ctr Marine Biotechnol, Inst Biotechnol, Columbus Ctr, 701 E Pratt St,Suite 236, Baltimore, MD 21202 USA. EM Sowers@comb.umbi.umd.edu RI Gilna, Paul/I-3608-2016; Lapidus, Alla/I-4348-2013 OI Gilna, Paul/0000-0002-6542-0191; Lapidus, Alla/0000-0003-0427-8731 NR 52 TC 92 Z9 443 U1 3 U2 32 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 J9 J BACTERIOL JI J. Bacteriol. PD NOV PY 2006 VL 188 IS 22 BP 7922 EP 7931 DI 10.1128/JB.00810-06 PG 10 WC Microbiology SC Microbiology GA 104EB UT WOS:000241938100022 PM 16980466 ER PT J AU Mourant, JR Dominguez, J Carpenter, S Short, KW Powers, TM Michalczyk, R Kunapareddy, N Guerra, A Freyer, JP AF Mourant, Judith R. Dominguez, Jorge Carpenter, Susan Short, Kurt W. Powers, Tamara M. Michalczyk, Ryszard Kunapareddy, Nagapratima Guerra, Anabel Freyer, James P. TI Comparison of vibrational spectroscopy to biochemical and flow cytometry methods for analysis of the basic biochemical composition of mammalian cells SO JOURNAL OF BIOMEDICAL OPTICS LA English DT Article DE Raman spectroscopy; mid-infrared spectroscopy; biochemical analysis; fibroblast cells; proliferation; tumorigenicity ID RAMAN-SPECTROSCOPY; PROTEIN AB We have conducted an extensive comparison of cellular biochemical composition obtained from infrared and Raman spectra of intact cells with measurements using standard extraction and chemical analysis (including NMR), and flow cytometric assay on fixed cells. Measurements were conducted on a rat fibroblast carcinogenesis model consisting of normal and tumorigenic cells assayed as exponentially growing and plateau-phase cultures. Estimates of protein, DNA, RNA, lipids, and glycogen amounts were obtained from a previous publication in which vibrational spectra were fit to a set of basis spectra representing protein, DNA, RNA, lipids, and glycogen. The Raman spectral estimates of absolute cellular composition were quite similar to the independent biochemical and flow cytometric assays. The infrared spectra gave similar results for protein, lipid, and glycogen but underestimated the DNA content while overestimating the RNA level. When ratios of biochemical concentrations in exponential and plateau-phase cultures were examined, the Raman spectroscopic results were the same, within errors, as the independent methods, in all cases. Several changes in relative biochemical composition due to tumorigenic and proliferative status previously reported using vibrational spectroscopy were confirmed by the independent methods. These results demonstrate that vibrational spectroscopy can provide reliable estimates of the biochemical composition of mammalian cells. (c) 2006 Society of Photo-Optical Instrumentation Engineers. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Mourant, JR (reprint author), Los Alamos Natl Lab, MS E535, Los Alamos, NM 87545 USA. EM jmourant@lanl.gov OI Michalczyk, Ryszard/0000-0001-8839-6473 FU NCI NIH HHS [R01 CA089255, CA89255]; NCRR NIH HHS [RR01315] NR 24 TC 13 Z9 13 U1 0 U2 6 PU SPIE-INT SOCIETY OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98225 USA SN 1083-3668 J9 J BIOMED OPT JI J. Biomed. Opt. PD NOV-DEC PY 2006 VL 11 IS 6 AR 064024 DI 10.1117/1.2400213 PG 11 WC Biochemical Research Methods; Optics; Radiology, Nuclear Medicine & Medical Imaging SC Biochemistry & Molecular Biology; Optics; Radiology, Nuclear Medicine & Medical Imaging GA 132UU UT WOS:000243968700027 PM 17212547 ER PT J AU Yao, XC George, JS AF Yao, Xin-Cheng George, John S. TI Near-infrared imaging of fast intrinsic optical responses in visible light-activated amphibian retina SO JOURNAL OF BIOMEDICAL OPTICS LA English DT Article DE optical imaging; neural activation; retina; visual processing; ion exchange; intrinsic optical responses ID COHERENCE TOMOGRAPHY; SPREADING DEPRESSION; SCATTERING CHANGES; NEURAL ACTIVITY; IN-VIVO; PHOTORECEPTORS; STIMULATION AB High performance functional imaging is needed for dynamic measurements of neural processing in retina. Emerging techniques for visual prosthesis also require advanced methodology for reliable validation of electromagnetic stimulation of the retina. Imaging of fast intrinsic optical responses associated with neural activation promises a variety of technical advantages over traditional single and multichannel electrophysiological techniques for these purposes, but the application of fast optical signals for neural imaging has been limited by low signal-to-noise ratio and high background light intensity. However, by using an optimized near-infrared probe light and improved optical system, we improve the optical signals substantially, allowing single pass measurements with approximately micron resolution. We image fast intrinsic optical responses with different optical modalities, i.e., bright field, dark field, and cross-polarization, from isolated retina activated by visible light stimulation. At single cell resolution, bright-field imaging discloses the maxima of optical responses similar to 5% dI/I, where dI is the dynamic optical change and I is the baseline light intensity. Dark-field imaging techniques further enhance the sensitivity of optical measurements, and show the maxima of optical responses exceeding 10% dI/I. Cross-polarized imaging provides optical sensitivity similar to dark-field imaging, but different patterns of neural activation are observed. (c) 2006 Society of Photo-Optical Instrumentation Engineers. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Yao, XC (reprint author), CFD Res Corp, 215 Wynn Dr, Huntsville, AL 35805 USA. EM xcy@cfdrc.com; jsg@lanl.gov NR 32 TC 25 Z9 26 U1 0 U2 1 PU SPIE-INT SOCIETY OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98225 USA SN 1083-3668 J9 J BIOMED OPT JI J. Biomed. Opt. PD NOV-DEC PY 2006 VL 11 IS 6 AR 064030 DI 10.1117/1.2393155 PG 8 WC Biochemical Research Methods; Optics; Radiology, Nuclear Medicine & Medical Imaging SC Biochemistry & Molecular Biology; Optics; Radiology, Nuclear Medicine & Medical Imaging GA 132UU UT WOS:000243968700033 PM 17212553 ER PT J AU Utgikar, V Ward, B AF Utgikar, Vivek Ward, Bradley TI Life cycle assessment of ISPRA Mark 9 thermochemical cycle for nuclear hydrogen production SO JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY LA English DT Article; Proceedings Paper CT Spring Meeting of the American-Institute-of-Chemical-Engineers CY APR, 2005 CL Atlanta, GA SP Amer Inst Chem Engineers DE life cycle assessment (LCA); thermochemical hydrogen production; ISPRA Mark 9 cycle; greenhouse gas emissions; acid gas emissions ID ELECTRICITY-GENERATION; ENERGY; ELECTROLYSIS; SYSTEMS; HEALTH; IMPACT; STEEL; FUEL; PART AB The nuclear energy driven thermochemical cycle is one of the potential water-splitting processes for producing hydrogen, presumed to be the transportation fuel of the future. A life cycle assessment (LCA) of one such system, which utilizes nuclear energy to drive the ISPRA Mark 9 thermochemical cycle, is presented in this paper. The results of the LCA are presented in terms of the emissions of greenhouse gases (CO2-equivalent) and acid gases (SO2-equivalent). The contributions of the thermochernical plant to the emissions were determined through the estimation of material and energy requirements for chemical inventory, raw materials consumption and plant fabrication/installation. The greenhouse gas emissions from the system are 2515 g CO2-equivalent kg(-1) H-2 produced and acid gas emissions 11.252 g SO2-equivalent kg(-1) H-2 produced. A comparison of this hydrogen production route with other routes, including steam reforming of methane and high-temperature electrolysis, is also presented in the paper. (c) 2006 Society of Chemical Industry C1 Univ Idaho, Dept Chem Engn, Idaho Falls, ID USA. Idaho Natl Lab, Idaho Falls, ID USA. RP Utgikar, V (reprint author), Univ Idaho, Dept Chem Engn, Idaho Falls, ID USA. EM vutgikar@if.uidaho.edu NR 48 TC 13 Z9 13 U1 0 U2 3 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 0268-2575 J9 J CHEM TECHNOL BIOT JI J. Chem. Technol. Biotechnol. PD NOV PY 2006 VL 81 IS 11 BP 1753 EP 1759 DI 10.1002/jctb.1598 PG 7 WC Biotechnology & Applied Microbiology; Chemistry, Multidisciplinary; Engineering, Environmental; Engineering, Chemical SC Biotechnology & Applied Microbiology; Chemistry; Engineering GA 104ZM UT WOS:000241999100005 ER PT J AU Bruno, WJ Pearson, JE AF Bruno, William J. Pearson, John E. TI Transformations that preserve detailed balance in Markov models SO JOURNAL OF COMPUTATIONAL BIOLOGY LA English DT Article DE HMM; ion channels; linear algebra; Markov chains; matrices ID KINETICS AB Aggregated Markov processes related by similarity transformation are equivalent in that they cannot be distinguished by steady-state experiments. We derive an explicit formula for the set of all detailed-balance preserving similarity transformations between such continuous time Markov chains with N states. The matrices that define the allowed similarity transformations are found to be a simple non-linear function applied to almost any element of the special orthogonal group in N dimensions. Since a model is identifiable only if there is no similarity transformations to an equivalent model, we expect this result to prove useful in the theory of identification of aggregated Markov chains, an enterprise of growing importance as more and more single molecules yield to observation. C1 Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Pearson, JE (reprint author), Los Alamos Natl Lab, MS K710, Los Alamos, NM 87544 USA. EM pearson@lanl.gov FU NIGMS NIH HHS [R01GM65830-01] NR 8 TC 1 Z9 1 U1 0 U2 1 PU MARY ANN LIEBERT INC PI NEW ROCHELLE PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA SN 1066-5277 J9 J COMPUT BIOL JI J. Comput. Biol. PD NOV PY 2006 VL 13 IS 9 BP 1574 EP 1578 DI 10.1089/cmb.2006.13.1574 PG 5 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Computer Science, Interdisciplinary Applications; Mathematical & Computational Biology; Statistics & Probability SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Computer Science; Mathematical & Computational Biology; Mathematics GA 115YT UT WOS:000242770400006 PM 17147480 ER PT J AU Bauer, AL Burton, DE Caramana, EJ Loubere, R Shashkov, MJ Whalen, PP AF Bauer, A. L. Burton, D. E. Caramana, E. J. Loubere, R. Shashkov, M. J. Whalen, P. P. TI The internal consistency, stability, and accuracy of the discrete, compatible formulation of Lagrangian hydrodynamics SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE Lagrangian scheme; stability; compressible fluids; compatible discretization; support operator ID ARTIFICIAL VISCOSITY; ENERGY AB This work explores the somewhat subtle meaning and consequences of the salient properties of the discrete, compatible formulation of Lagrangian hydrodynamics. In particular, since this formulation preserves total energy to roundoff error, the amount of error in the conservation of total energy cannot be used to gauge the internal consistency of calculations, as is often done with the older forms of this algorithm. However, the compatible formulation utilizes two definitions of zone volume: the first is the usual definition whereby the volume of a zone is defined as some prescribed function of the coordinates of the points that define it; the second is given as the integration in time of the continuity equation for zone volume as expressed in Lagrangian form. It is the use of this latter volume in the specific internal energy equation that enables total energy to be exactly conserved. These two volume definitions are generally not precisely equal. It is the analysis of this difference that forms the first part of this study. It is shown that this difference in zone volumes can be used to construct a practical internal consistency measure that not only takes the place of the lack of total energy conservation of the older forms of Lagrangian hydrodynamics, but is more general in that it can be defined on a single zone basis. It can also be used to ascertain the underlying spatial and temporal order of accuracy of any given set of calculations. The difference in these two definitions of zone volume may be interpreted as a type of entropy error. However, this entropy error is found to be significant only when a given calculation becomes numerically unstable, otherwise it remains at or far beneath truncation error levels. In fact, it can be utilized to provide an upper bound on the size of the spatial truncation error for a stable computation. It is also shown how this volume difference can be used as an indicator of numerical difficulties, since exact local conservation of total energy does not guarantee numerical stability or the quality of any numerical calculation. The discrete, compatible formulation of Lagrangian hydrodynamics utilizes a two level predictor/corrector-type of time integration scheme; a stability analysis, both analytical and numerical, is given. This analysis reveals a novel stability diagram that has not been heretofore published, and gives definitive information as to how the stabilizing corrector step should be centered in time. (c) 2006 Elsevier Inc. All rights reserved. C1 Univ Michigan, Dept Math, Ann Arbor, MI 48109 USA. Los Alamos Natl Lab, Los Alamos, NM USA. Univ Toulouse, MIP, F-31062 Toulouse 9, France. RP Bauer, AL (reprint author), Univ Michigan, Dept Math, 2074 E Hall,530 Church St, Ann Arbor, MI 48109 USA. EM albauer@umich.edu; burton@lanl.gov; ed.caramana@gmail.com; loubere@mip.ups-tlse.fr; shashkov@lanl.gov; ppw@lanl.gov NR 18 TC 21 Z9 23 U1 0 U2 7 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 J9 J COMPUT PHYS JI J. Comput. Phys. PD NOV 1 PY 2006 VL 218 IS 2 BP 572 EP 593 DI 10.1016/j.jcp.2006.02.024 PG 22 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 111OA UT WOS:000242461200008 ER PT J AU Kim, H Choi, KM Moon, JW Annable, MD AF Kim, Heonki Choi, Kyong-Min Moon, Ji-Won Annable, Michael D. TI Changes in air saturation and air-water interfacial area during surfactant-enhanced air sparging in saturated sand SO JOURNAL OF CONTAMINANT HYDROLOGY LA English DT Article DE air sparging; surfactant; aquifer; remediation; contamination ID UNSATURATED POROUS-MEDIA; GROUNDWATER CONTAMINATION; COMPOSITIONAL SIMULATION; ORGANIC-CHEMICALS; FLOW-RATE; REMEDIATION; REMOVAL; BENZENE; SYSTEM; SOILS AB Reduction in the surface tension of groundwater, prior to air sparging for removal of volatile organic contaminant from aquifer, can greatly enhance the air content and the extent of influence when air sparging is implemented. However, detailed information on the functional relationship between water saturation, air-water contact area induced by air sparging and the surface tension of water has not been available. In this study, the influence of adding water-soluble anionic surfactant (sodium dodecyl benzene sulfonate) into groundwater before air sparging on the air-water interfacial area and water saturation was investigated using a laboratory-scale sand packed column. It was found that water saturation decreases with decreasing surface tension of water until it reaches a point where this trend is reversed so that water saturation increases with further decrease in the surface tension. The lowest water saturation of 0.58 was achieved at a surface tension of 45.4 dyn/cm, which is considered as the optimum surface tension for maximum de-saturation for the initially water-saturated sand used in this study. The air-water contact area generated in the sand column due to air sparging was measured using a gaseous interfacial tracer, n-decane, and was found to monotonically increase with decreasing water saturation. The results of this study provide useful design information for surfactant-enhanced air sparging removal of volatile contaminants from aquifers. (c) 2006 Elsevier B.V. All rights reserved. C1 Hallym Univ, Dept Environm Sci & Biotechnol, Chunchon 200702, Gangwon Do, South Korea. Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. Univ Florida, Dept Environm Engn Sci, Gainesville, FL 32611 USA. RP Kim, H (reprint author), Hallym Univ, Dept Environm Sci & Biotechnol, Chunchon 200702, Gangwon Do, South Korea. EM heonki@hallym.ac.kr RI Moon, Ji-Won/A-9186-2011 OI Moon, Ji-Won/0000-0001-7776-6889 NR 37 TC 21 Z9 23 U1 0 U2 15 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0169-7722 J9 J CONTAM HYDROL JI J. Contam. Hydrol. PD NOV PY 2006 VL 88 IS 1-2 BP 23 EP 35 DI 10.1016/j.jconhyd.2006.05.009 PG 13 WC Environmental Sciences; Geosciences, Multidisciplinary; Water Resources SC Environmental Sciences & Ecology; Geology; Water Resources GA 109OK UT WOS:000242317700002 PM 16872716 ER PT J AU Nalla, RK Kinney, JH Tomsia, AP Ritchie, RO AF Nalla, R. K. Kinney, J. H. Tomsia, A. P. Ritchie, R. O. TI Role of alcohol in the fracture resistance of teeth SO JOURNAL OF DENTAL RESEARCH LA English DT Article DE dentin; fracture resistance; alcohol; toughening; R-curves ID DEMINERALIZED DENTIN; HYDRATION STRUCTURE; POLAR-SOLVENTS; BOUND WATER; COLLAGEN; BONE; MECHANICS; PEPTIDE; MATRIX AB Healthy dentin, the mineralized tissue that makes up the bulk of the tooth, is naturally hydrated in vivo; however, it is known that various chemical reagents, including acetone and ethanol, can induce dehydration and thereby affect its properties. Here, we sought to investigate this in light of the effect of alcohol on the mechanical properties of dentin, specifically by measuring the stiffness, strength, and toughness of dentin in simulated body fluid and Scotch whisky. Results indicated that chemical dehydration induced by the whisky had a significant beneficial effect on the elastic modulus, strength, and fracture toughness of dentin. Although this made teeth more resistant to fracture, the change in properties was fully reversible upon rehydration. This effect is considered to be associated with increased cross-linking of the collagen molecules from intermolecular hydrogen-bonding, where water is replaced with weaker hydrogen-bond-forming solvents such as alcohol. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Ritchie, RO (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM roritchie@lbl.gov RI Ritchie, Robert/A-8066-2008 OI Ritchie, Robert/0000-0002-0501-6998 FU NIDCR NIH HHS [5R01 DE015633, R01 DE015633, R01 DE015633-01] NR 23 TC 28 Z9 28 U1 1 U2 6 PU INT AMER ASSOC DENTAL RESEARCHI A D R/A A D R PI ALEXANDRIA PA 1619 DUKE ST, ALEXANDRIA, VA 22314-3406 USA SN 0022-0345 J9 J DENT RES JI J. Dent. Res. PD NOV PY 2006 VL 85 IS 11 BP 1022 EP 1026 PG 5 WC Dentistry, Oral Surgery & Medicine SC Dentistry, Oral Surgery & Medicine GA 098KY UT WOS:000241520600009 PM 17062743 ER PT J AU Taylor, MA Wingate, BA AF Taylor, Mark A. Wingate, Beth A. TI A generalization of prolate spheroidal functions with more uniform resolution to the triangle SO JOURNAL OF ENGINEERING MATHEMATICS LA English DT Article DE prolate spheroidal; triangle; Sturm Liouville; polynomial approximation ID WAVE-FUNCTIONS; SPECTRAL ELEMENT AB Prolate spheroidal functions constitute a one-parameter (alpha) family of orthogonal functions in the interval. For alpha = 0, they are the Legendre polynomials. For larger alpha, the prolate spheroidal functions oscillate more uniformly than the Legendre polynomials, and provide more uniform resolution in the interval. The prolate spheroidal functions can be obtained by adding a zeroth-order term to the Sturm-Liouville equation for the Legendre polynomials. Here, the Sturm-Liouville equation for orthogonal polynomials in the triangle is modified in a similar fashion. The modification maintains the self-adjointness and symmetry properties of the original Sturm-Liouville equation, so that the new eigenfunctions are orthogonal and give spectrally accurate approximations of smooth functions with arbitrary boundary conditions in the triangle. The properties of the new eigenfunctions mimic those in the interval. For larger alpha, the new eigenfunctions provide more uniform resolution in the triangle. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Los Alamos Natl Lab, Los Alamos, NM USA. RP Taylor, MA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM mataylo@sandia.gov; wingate@lanl.gov NR 14 TC 3 Z9 3 U1 0 U2 2 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0022-0833 J9 J ENG MATH JI J. Eng. Math. PD NOV PY 2006 VL 56 IS 3 BP 221 EP 235 DI 10.1007/s10665-006-9080-z PG 15 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Engineering; Mathematics GA 130TE UT WOS:000243821100003 ER PT J AU Wingate, BA Taylor, MA AF Wingate, Beth A. Taylor, Mark A. TI Measuring characteristic length scales of eigenfunctions of Sturm-Liouville equations in one and two dimensions SO JOURNAL OF ENGINEERING MATHEMATICS LA English DT Article DE length scale; eigenfunctions; Sturm-Liouville ID SPHEROIDAL WAVE-FUNCTIONS; POLYNOMIAL INTERPOLATION; TRIANGLE; QUADRATURE; POINTS AB The spatial resolution of eigenfunctions of Sturm-Liouville equations in one-dimension is frequently measured by examining the minimum distance between their roots. For example, it is well known that the roots of polynomials on finite domains cluster like O(1/N-2) near the boundaries. This technique works well in one dimension, and in higher dimensions that are tensor products of one-dimensional eigenfunctions. However, for non-tensor-product eigenfunctions, finding good interpolation points is much more complicated than finding the roots of eigenfunctions. In fact, in some cases, even quasi-optimal interpolation points are unknown. In this work an alternative measure, delta, is proposed for estimating the characteristic length scale of eigenfunctions of Sturm-Liouville equations that does not rely on knowledge of the roots. It is first shown that delta is a reasonable measure for evaluating the eigenfunctions since in one dimension it recovers known results. Then results are presented in higher dimensions. It is shown that for tensor products of one-dimensional eigenfunctions in the square the results reduce trivially to the one-dimensional result. For the non-tensor product Proriol polynomials, there are quasi-optimal interpolation points (Fekete points). Comparing the minimum distance between Fekete points to delta shows that delta is a reasonably good measure of the characteristic length scale in two dimensions as well. The measure is finally applied to the non-tensor product generalized eigenfunctions in the triangle proposed by Taylor MA, Wingate BA [(2006) J Engng Math, accepted] where optimal interpolation points are unknown. While some of the eigenfunctions have larger characteristic length scales than the Proriol polynomials, others show little improvement. C1 Los Alamos Natl Lab, Computat & Stat Sci Div, Los Alamos, NM 87544 USA. Ctr Nonlinear Studies, Los Alamos, NM 87544 USA. Sandia Natl Labs, MS318 Exploratory Simulat Technol, Albuquerque, NM 87185 USA. RP Wingate, BA (reprint author), Los Alamos Natl Lab, Computat & Stat Sci Div, MS D413 Comp, Los Alamos, NM 87544 USA. EM wingate@lanl.gov; mataylo@sandia.gov NR 17 TC 0 Z9 0 U1 0 U2 1 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0022-0833 J9 J ENG MATH JI J. Eng. Math. PD NOV PY 2006 VL 56 IS 3 BP 237 EP 245 DI 10.1007/s10665-006-9077-7 PG 9 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Engineering; Mathematics GA 130TE UT WOS:000243821100004 ER PT J AU Giraldo, FX Taylor, MA AF Giraldo, F. X. Taylor, M. A. TI A diagonal-mass-matrix triangular-spectral-element method based on cubature points SO JOURNAL OF ENGINEERING MATHEMATICS LA English DT Article DE elliptic; hyperbolic; mass; lumped; triangle ID NAVIER-STOKES EQUATIONS; SHALLOW-WATER EQUATIONS; SYMMETRIC QUADRATURE-RULES; FINITE-ELEMENTS; WAVE-EQUATION; COMPILATION; STROUD; SPHERE AB The cornerstone of nodal spectral-element methods is the co-location of the interpolation and integration points, yielding a diagonal mass matrix that is efficient for time-integration. On quadrilateral elements, Legendre-Gauss-Lobatto points are both good interpolation and integration points; on triangles, analogous points have not yet been found. In this paper, a promising set of points for the triangle that were only available for polynomial degree N <= 5 are used. However, the derivation of these points is generalized to obtain degree N <= 7 points, which are referred to as cubature points because their selection is based on their integration accuracy. The diagonal-mass-matrix (DMM) triangular-spectral-element (TSE) method based on these points can be used for any set of equations and any type of domain. Because these cubature points integrate up to order 2N along the element boundaries and yield a diagonal mass matrix, they allow the triangular spectral elements to compete with quadrilateral spectral elements in terms of both accuracy and efficiency, while offering more geometric flexibility in the choice of grids. It is shown how to implement this DMM TSE for a variety of applications involving elliptic and hyperbolic equations on different domains. The DMM TSE method yields comparable accuracy to the exact integration (non-DMM) TSE method, while being far more efficient for time-dependent problems. C1 USN, Postgrad Sch, Monterey, CA 93943 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Giraldo, FX (reprint author), USN, Postgrad Sch, Monterey, CA 93943 USA. EM giraldo@nrlmry.navy.mil NR 30 TC 13 Z9 13 U1 0 U2 5 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0022-0833 J9 J ENG MATH JI J. Eng. Math. PD NOV PY 2006 VL 56 IS 3 BP 307 EP 322 DI 10.1007/s10665-006-9085-7 PG 16 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Engineering; Mathematics GA 130TE UT WOS:000243821100009 ER PT J AU Williams, TO AF Williams, Todd O. TI A stochastic transformation field theory for heterogeneous materials SO JOURNAL OF ENGINEERING MECHANICS-ASCE LA English DT Article DE micromechanics; stochastic models; constitutive models; composite materials; theories ID MICROMECHANICAL ANALYSIS; COMPOSITES; SIMULATION; MODEL AB The formulation of a stochastic transformation field analysis framework is presented. The theory introduces the statistics of the underlying material microstructure through the incorporation of probability density functions (PDFs) for the mechanical and transformation field concentration tensors for the phases. Thus, this approach represents a departure from the practice in current micromechanical stochastic theories of considering PDFs for the distributions in the spatial arrangements in the microstructure. General equations governing the behavior of the concentration tensors in the presence of arbitrary variations in these tensors as well as other fields (such as the stress, strain, and eigenfields) are developed. The resulting framework is subsequently specialized to two-phase composite materials. It is shown in this case that the amount of stochastic information required by the theory can be substantially reduced. In particular, only stochastic information about the mechanical concentration tensors is required. An example illustrating the application of the theory to the prediction of the behavior of a two-phase, viscoplastic, continuous fiber composite is given. C1 Los Alamos Natl Lab, Theoret Div T3, Los Alamos, NM 87545 USA. RP Williams, TO (reprint author), Los Alamos Natl Lab, Theoret Div T3, MS B216, Los Alamos, NM 87545 USA. EM oakhill@lanl.gov NR 41 TC 2 Z9 2 U1 0 U2 0 PU ASCE-AMER SOC CIVIL ENGINEERS PI RESTON PA 1801 ALEXANDER BELL DR, RESTON, VA 20191-4400 USA SN 0733-9399 J9 J ENG MECH-ASCE JI J. Eng. Mech.-ASCE PD NOV PY 2006 VL 132 IS 11 BP 1224 EP 1240 DI 10.1061/(ASCE)0733-9399(2006)132:11(1224) PG 17 WC Engineering, Mechanical SC Engineering GA 099DM UT WOS:000241572700009 ER PT J AU Zemva, B Bartlett, N AF Zemva, Boris Bartlett, Neil TI The room temperature preparation of metastable fluorides and potent oxidizers SO JOURNAL OF FLUORINE CHEMISTRY LA English DT Article; Proceedings Paper CT 100th Anniversary Moissan Symposium CY NOV 10, 2006 CL Paris, FRANCE DE electronegativity; high oxidation-states; potent cationic oxidizers; synthesis; AgF4-; NiF62- salts; metastable fluorides; AgF3; NiF4; NiF3 ID NUCLEAR MAGNETIC-RESONANCE; CRYSTAL-STRUCTURE; PALLADIUM DIFLUORIDE; DIOXYGENYL HEXAFLUOROPLATINATE(V); RAMAN-SPECTROSCOPY; NOBLE METALS; TRIFLUORIDE; TETRAFLUORIDE; O2&; OXIDATION AB The low electronegativity of an oxidation state in an anion enables high oxidation states, e.g. Ni-IV, and Ag-III, to be easily attained in liquid anhydrous HF (aHF), made basic with fluoride-ion donors. The oxidation state can be enhanced if elemental fluorine is photo-dissociated. Teflon@ valves and lines, especially transparent and kinetically stable fluorocarbon containers for the aHF solutions, provide for this. Binary fluorides that are of low solubility in aHF, can be displaced by stronger F- acceptors from their high oxidation-state anions. NiF4, NiF3, and AgF3, which can be made in this manner, are thermodynamically unstable with respect to loss of fluorine. The electronegativity of the oxidation state in the binary fluoride is higher than in the anion (hence the metastability) and when a strong F- acceptor converts the binary fluoride into a cationic species, the electronegativity is further enhanced. Thus cationic Ag-III and Ni-IV are superior to KrF+, as one-electron oxidizers and are the most potent oxidizers known thus far. They are able to remove the electron from all platinum-metal hexafluoro-anions, MF6-, to liberate the hexafluorides. All of this chemistry can be achieved at or below room temperature. (c) 2006 Boris Zemva. Published by Elsevier B.V. All rights reserved. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Chem, Div Chem Sci, Berkeley, CA 94720 USA. Jozef Stefan Inst, Ljubljana 1000, Slovenia. RP Bartlett, N (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Chem, Div Chem Sci, Berkeley, CA 94720 USA. EM neilbartlett@earthlink.net NR 33 TC 6 Z9 6 U1 1 U2 4 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0022-1139 J9 J FLUORINE CHEM JI J. Fluor. Chem. PD NOV PY 2006 VL 127 IS 11 BP 1463 EP 1466 DI 10.1016/j.jfluchem.2006.09.017 PG 4 WC Chemistry, Inorganic & Nuclear; Chemistry, Organic SC Chemistry GA 115OT UT WOS:000242744300002 ER PT J AU Egan, JM Rickenbach, M Mooney, KE Palenik, CS Golombeck, R Mueller, KT AF Egan, James M. Rickenbach, Michael Mooney, Kim E. Palenik, Chris S. Golombeck, Rebecca Mueller, Karl T. TI Bank security dye packs: Synthesis, isolation, and characterization of chlorinated products of bleached 1-(methylamino)anthraquinone SO JOURNAL OF FORENSIC SCIENCES LA English DT Article DE forensic science; forensic chemistry; theft-deterrent device; dye pack; dye bleaching; chlorinated derivatives; MAAQ; bank security; bank dye; bank robbery; stained currency; security inks AB Banknote evidence is often submitted after a suspect has attempted to disguise or remove red dye stain that has been released because of an anti-theft device that activates after banknotes have been unlawfully removed from bank premises. Three chlorinated compounds have been synthesized as forensic chemical standards to indicate bank security dye bleaching as a suspect's intentional method for masking a robbery involving dye pack release on banknotes. A novel, facile synthetic method to provide three chlorinated derivatives of 1-(methylamino)anthraquinone (MAAQ) is presented. The synthetic route involved Ultra Clorox (TM) bleach as the chlorine source, iron chloride as the catalyst, and MAAQ as the starting material and resulted in a three-component product mixture. Two mono-chlorinated isomers (2-chloro-1-(methylamino)anthraquinone and 4-chloro-1-(methylamino)anthraquinone) and one di-chlorinated compound (2,4-dichloro-1-(methylamino)anthraquinone) of the MAAQ parent molecule were detected by gas chromatography mass spectrometry (GC-MS), and subsequently isolated by liquid chromatography (LC) with postcolumn fraction collection. Although GC-MS is sensitive enough to detect all of the chlorinated products, it is not definitive enough to identify the structural isomers. Liquid-state nuclear magnetic resonance (NMR) spectroscopy was utilized to elucidate structurally the ortho- and para-mono-chlorinated isomers once enough material was properly isolated. A reaction mechanism involving iron is proposed to explain the presence of chlorinated MAAQ species on stolen banknotes after attempted bleaching. C1 Fed Bur Invest Acad, Lab Div, Counterterrorism & Forens Sci Res Unit, CFSRU,ORISE, Quantico, VA 22135 USA. Fed Bur Invest Acad, Lab Div, Chem & Biol Sci Unit, FBI Lab, Quantico, VA 22135 USA. Penn State Univ, Dept Chem, University Pk, PA 16802 USA. RP Egan, JM (reprint author), Fed Bur Invest Acad, Lab Div, Counterterrorism & Forens Sci Res Unit, CFSRU,ORISE, Bldg 12, Quantico, VA 22135 USA. EM egan_jimmiye@yahoo.com RI Mueller, Karl/A-3637-2010 NR 14 TC 3 Z9 3 U1 0 U2 9 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0022-1198 J9 J FORENSIC SCI JI J. Forensic Sci. PD NOV PY 2006 VL 51 IS 6 BP 1276 EP 1283 DI 10.1111/j.1556-4029.2006.00295.x PG 8 WC Medicine, Legal SC Legal Medicine GA 116WC UT WOS:000242833300007 PM 17199613 ER PT J AU Taylor, MGGT Reeves, GD Friedel, RHW Thomsen, MF Elphic, RC Davies, JA Dunlop, MW Laakso, H Lavraud, B Baker, DN Slavin, JA Perry, CH Escoubet, CP Masson, A Opgenoorth, HJ Vallat, C Daly, PW Fazakerley, AN Lucek, EA AF Taylor, M. G. G. T. Reeves, G. D. Friedel, R. H. W. Thomsen, M. F. Elphic, R. C. Davies, J. A. Dunlop, M. W. Laakso, H. Lavraud, B. Baker, D. N. Slavin, J. A. Perry, C. H. Escoubet, C. P. Masson, A. Opgenoorth, H. J. Vallat, C. Daly, P. W. Fazakerley, A. N. Lucek, E. A. TI Cluster encounter with an energetic electron beam during a substorm SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID MAGNETIC RECONNECTION; MAGNETOTAIL; SPACECRAFT; PLASMA; FIELD; MAGNETOSPHERE; ACCELERATION; PARTICLE; REGIONS; MISSION AB During a passage of the midtail plasma sheet, the Cluster 3 spacecraft made an unprecedented high-resolution measurement of a beam of electrons with energies up to 400 keV. The beam was only fully resolved by combining the energy range coverage of the Plasma Electron and Current Experiment and Research with Adaptive Particle Imaging Detector electron detectors and its pitch angle distribution evolved from antiparallel, through counterstreaming to parallel over a period of 20 s. Although energetic electron fluxes (similar to few hundred keV) are frequently observed in the plasma sheet, electron beams of this nature have rarely, if ever, been reported. The global conditions of the magnetosphere at this time were analyzed using multiple spacecraft, ground, and auroral observations, and are shown to be consistent with a near-Earth neutral line substorm scenario. The beam event is clearly associated with a substorm, and we present a discussion on the detailed analysis of the energy and time dependence of the beam in context with several current theories of particle acceleration, finding that the observations do no fit completely with any in a straightforward way. C1 European Space Agcy, Res & Sci Support Dept, NL-2200 AG Noordwijk, Netherlands. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Rutherford Appleton Lab, Space Phys Div, Didcot OX11 0QX, Oxon, England. Univ Colorado, Atmospher & Space Phys Lab, Boulder, CO 80303 USA. NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. Max Planck Inst Aeron, D-37191 Katlenburg Lindau, Germany. UCL, Mullard Space Sci Lab, Surrey RH5 6NT, England. Univ London Imperial Coll Sci Technol & Med, Blackett Lab, Space & Atmospher Phys Grp, London SW7 2BW, England. RP Taylor, MGGT (reprint author), European Space Agcy, Res & Sci Support Dept, Keperlaan 1, NL-2200 AG Noordwijk, Netherlands. EM mtaylor@rssd.esa.int RI Friedel, Reiner/D-1410-2012; dunlop, malcolm/F-1347-2010; Slavin, James/H-3170-2012; Reeves, Geoffrey/E-8101-2011 OI Friedel, Reiner/0000-0002-5228-0281; Slavin, James/0000-0002-9206-724X; Reeves, Geoffrey/0000-0002-7985-8098 NR 34 TC 12 Z9 12 U1 1 U2 1 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0148-0227 J9 J GEOPHYS RES-SPACE JI J. Geophys. Res-Space Phys. PD NOV 1 PY 2006 VL 111 IS A11 AR A11203 DI 10.1029/2006JA011666 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 103EI UT WOS:000241868100005 ER PT J AU Albright, WH Benson, CH Gee, GW Abichou, T McDonald, EV Tyler, SW Rock, SA AF Albright, William H. Benson, Craig H. Gee, Glendon W. Abichou, Tarek McDonald, Eric V. Tyler, Scott W. Rock, Steven A. TI Field performance of a compacted clay landfill final cover at a humid site SO JOURNAL OF GEOTECHNICAL AND GEOENVIRONMENTAL ENGINEERING LA English DT Article ID HYDRAULIC CONDUCTIVITY TESTS; WATER-BALANCE; SOIL LINERS; BARRIERS; FLOW; INFILTRATION; DESICCATION; INSITU AB A study was conducted in southern Georgia, USA, to evaluate how the hydraulic properties of the compacted clay barrier layer in a final landfill cover changed over a 4-year service life. The cover was part of a test section constructed in a large drainage lysimeter that allowed continuous monitoring of the water balance. Patterns in the drainage (i.e., flow from the bottom of the cover) record suggest that preferential flow paths developed in the clay barrier soon after construction, apparently in response to desiccation cracking. After four years, the clay barrier was excavated and examined for changes in soil structure and hydraulic conductivity. Tests were conducted in situ with a sealed double-ring infiltrometer and two-stage borehole permeameters and in the laboratory on hand-carved blocks taken during construction and after four years of service. The in situ and laboratory tests indicated that the hydraulic conductivity increased approximately three orders of magnitude (from approximate to 10(-7) to approximate to 10(-4) cm center dot s(-1)) during the service life. A dye tracer test and soil structure analysis showed that extensive cracking and root development occurred throughout the entire depth of the barrier layer. Laboratory tests on undisturbed specimens of the clay barrier indicated that the hydraulic conductivity of damaged clay barriers can be underestimated significantly if small specimens (e.g., tube samples) are used for hydraulic conductivity assessment. The findings also indicate that clay barriers must be protected from desiccation and root intrusion if they are expected to function as intended, even at sites in warm, humid locations. C1 Nevada Syst Higher Educ, Desert Res Inst, Reno, NV 89512 USA. Univ Wisconsin, Dept Civil & Environm Engn, Madison, WI 53706 USA. Battelle Pacific NW Labs, Richland, WA 99352 USA. Florida State Univ, Dept Civil & Environm Engn, Tallahassee, FL 32310 USA. Univ Nevada, Dept Nat Resources & Environm Sci, Reno, NV 89557 USA. Univ Nevada, Dept Geol Sci & Engn, Reno, NV 89557 USA. US EPA, Natl Risk Management Res Lab, Cincinnati, OH 45268 USA. RP Albright, WH (reprint author), Nevada Syst Higher Educ, Desert Res Inst, Reno, NV 89512 USA. EM Bill.Albright@dri.edu; benson@engr.wisc.edu; glendon.gee@pnl.gov; abichou@eng.fsu.edu; Eric.McDonald@dri.edu; tylers@unr.edu; Rock.Steven@epamail.epa.gov NR 50 TC 33 Z9 34 U1 6 U2 27 PU ASCE-AMER SOC CIVIL ENGINEERS PI RESTON PA 1801 ALEXANDER BELL DR, RESTON, VA 20191-4400 USA SN 1090-0241 J9 J GEOTECH GEOENVIRON JI J. Geotech. Geoenviron. Eng. PD NOV PY 2006 VL 132 IS 11 BP 1393 EP 1403 DI 10.1061/(ASCE)1090-0241(2006)132:11(1393) PG 11 WC Engineering, Geological; Geosciences, Multidisciplinary SC Engineering; Geology GA 099ME UT WOS:000241598000002 ER PT J AU Schmierer, EN Razani, A AF Schmierer, Eric N. Razani, Arsalan TI Self-consistent open-celled metal foam model for thermal applications SO JOURNAL OF HEAT TRANSFER-TRANSACTIONS OF THE ASME LA English DT Article; Proceedings Paper CT ASME Heat Transfer/Fluids Engineering Summer Conference CY JUL 11-15, 2004 CL Charlotte, NC SP ASME DE open-celled; metal foam; thermal conductivity; geometric model; tomography ID HEAT-TRANSFER; CONDUCTIVITY AB Many engineering applications require thermal cycling of granular materials. Since these materials generally have poor effective thermal conductivity various techniques have been proposed to improve bed thermal transport. These include insertion of metal foam with the granular material residing in the interstitial space. The use of metal foam introduces a parasitic thermal capacitance, disrupts packing, and reduces the amount of active material. In order to optimize the combined high porosity metal foam-granular material matrix and study local thermal nonequilibrium, multiple energy equations are required. The interfacial conductance coefficients, specific interface area, and the effective thermal conductivities of the individual components, which are required for a multiple energy equation analysis, are functions of the foam geometry. An ideal three-dimensional geometric model of open-celled Duocell(R) foam is proposed. Computed tomography is used to acquire foam cell and ligament diameter distribution, ligament shape, and specific surface area for a range of foam parameters to address various shortcomings in the literature. These data are used to evaluate the geometric self-consistency of the proposed geometric model with respect to the intensive and extensive geometry parameters. Experimental thermal conductivity data for the same foam samples are acquired and are used to validate finite element analysis results of the proposed geometric model. A simple relation between density and thermal conductivity ratio is derived using the results. The foam samples tested exhibit a higher dependence on relative density and less dependence on interstitial fluid than data in the literature. The proposed metal foam geometric model is shown to be self-consistent with respect to both its geometric and thermal properties. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ New Mexico, Dept Mech Engn, Albuquerque, NM 87131 USA. RP Schmierer, EN (reprint author), Los Alamos Natl Lab, MS J580, Los Alamos, NM 87545 USA. EM schmierer@lanl.gov; razani@unm.edu NR 35 TC 32 Z9 33 U1 1 U2 10 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0022-1481 EI 1528-8943 J9 J HEAT TRANS-T ASME JI J. Heat Transf.-Trans. ASME PD NOV PY 2006 VL 128 IS 11 BP 1194 EP 1203 DI 10.1115/1.2352787 PG 10 WC Thermodynamics; Engineering, Mechanical SC Thermodynamics; Engineering GA 112ZF UT WOS:000242566000010 ER PT J AU Ma, HB Wilson, C Yu, Q Park, K Choi, US Tirumala, M AF Ma, H. B. Wilson, C. Yu, Q. Park, K. Choi, U. S. Tirumala, Murli TI An experimental investigation of heat transport capability in a nanofluid oscillating heat pipe SO JOURNAL OF HEAT TRANSFER-TRANSACTIONS OF THE ASME LA English DT Article DE oscillating heat pipe; nanofluid; nanoparticle ID THERMAL-CONDUCTIVITY ENHANCEMENT; NANO-FLUIDS; POOL; NANOPARTICLES; PERFORMANCE; WATER; FLUX AB An experimental investigation of a nanofluid oscillating heat pipe (OHP) was conducted to determine the nanofluid effect on the heat transport capability in an OHP. The nanofluid consisted of HPLC grade water and 1.0 vol % diamond nanoparticles of 5-50 nm. These diamond nanoparticles settle down in the motionless base fluid. However the oscillating motion of the OHP suspends the diamond nanoparticles in the working fluid. Experimental results show that the heat transport capability of the OHP significantly increased when it was charged with the nanofluid at a filling ratio of 50%. It was found that the heat transport capability of the OHP depends on the operating temperature. The investigated OHP could reach a thermal resistance of 0.03 degrees C/W at a heat input of 336 W. The nanofluid OHP investigated here provides a new approach in designing a highly efficient next generation of heat pipe cooling devices. C1 Univ Missouri, Columbia, MO 65211 USA. Argonne Natl Lab, Argonne, IL 60439 USA. Intel Corp, Hillsboro, OR 97124 USA. RP Ma, HB (reprint author), Univ Missouri, Columbia, MO 65211 USA. EM mah@missouri.edu NR 21 TC 117 Z9 126 U1 2 U2 28 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0022-1481 J9 J HEAT TRANS-T ASME JI J. Heat Transf.-Trans. ASME PD NOV PY 2006 VL 128 IS 11 BP 1213 EP 1216 DI 10.1115/1.2352789 PG 4 WC Thermodynamics; Engineering, Mechanical SC Thermodynamics; Engineering GA 112ZF UT WOS:000242566000012 ER PT J AU Aichlmayr, HT Kulacki, FA AF Aichlmayr, H. T. Kulacki, F. A. TI A transient technique for measuring the effective thermal conductivity of saturated porous media with a constant boundary heat flux SO JOURNAL OF HEAT TRANSFER-TRANSACTIONS OF THE ASME LA English DT Article; Proceedings Paper CT ASME Heat Transfer Summer Conference CY JUL 14-22, 2005 CL San Francisco, CA SP ASME DE porous media; effective thermal conductivity; transient measurement technique AB An experimental technique for measuring the effective thermal conductivity of saturated porous media is presented. The experimental method is based on the transient heating of a semi-infinite cylinder by a constant heat flux at the boundary. The data reduction technique is unique because it avoids determining the effective thermal diffusivity and quantifying the boundary heat flux. The technique is used to measure the effective thermal conductivity of glass-water, glass-air and steel-air systems. These systems yield solid-fluid conductivity ratios of 1.08, 25.7, and 2400, respectively. The solid phases consist of 3.96 mm glass spheres and 14 mm steel ball bearings, which give mean porosities of 0.365 and 0.403. In addition, particular attention is paid to assessing experimental uncertainty. Consequently, this study provides data with a degree of precision not typically found the literature. C1 Sandia Natl Labs, Livermore, CA 94550 USA. Univ Minnesota, Dept Mech Engn, Minneapolis, MN 55455 USA. RP Aichlmayr, HT (reprint author), Sandia Natl Labs, 7011 E Ave, Livermore, CA 94550 USA. EM htaichl@sandia.gov; kulacki@me.umn.edu NR 14 TC 8 Z9 8 U1 2 U2 9 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0022-1481 J9 J HEAT TRANS-T ASME JI J. Heat Transf.-Trans. ASME PD NOV PY 2006 VL 128 IS 11 BP 1217 EP 1220 DI 10.1115/1.2352791 PG 4 WC Thermodynamics; Engineering, Mechanical SC Thermodynamics; Engineering GA 112ZF UT WOS:000242566000013 ER PT J AU Buras, AJ Gorbahn, M Haisch, U Nierste, U AF Buras, Andrzej J. Gorbahn, Martin Haisch, Ulrich Nierste, Ulrich TI Charm quark contribution to K+ -> pi(+)nu(nu)over-bar at next-to-next-to-leading order SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Review DE kaon physics; renormalization group; NLO computations; rare decays ID LONG-DISTANCE CONTRIBUTION; RENORMALIZED GREENS FUNCTIONS; ANOMALOUS DIMENSION MATRIX; SEMILEPTONIC-B-DECAYS; RARE KAON DECAYS; QCD CORRECTIONS; CP-VIOLATION; MINIMAL SUBTRACTION; HEAVY-QUARK; EVANESCENT OPERATORS AB We calculate the complete next-to-next-to-leading (NNLO) order QCD corrections to the charm contribution of the rare decay K+ -> pi(+)v (v) over bar. We present the results for the two-loop matching conditions of the Wilson coefficients, the three-loop anomalous dimensions, and the two-loop matrix elements of the relevant operators entering the NNLO renormalization group analysis of the Z-penguin and the electroweak box contribution. The NNLO QCD corrections reduce the theoretical uncertainty from +/- 9.8% at NLO to +/- 2.4% in the relevant parameter Pc( X), implying the leftover scale uncertainties in B(K+ -> pi(+)v (v) over bar) and in the determination of vertical bar V-td vertical bar, sin 2 beta, and gamma from the K -> pi(v) over bar system to be +/- 1.3%, +/- 1.0%, +/- 0.006, and +/- 1.2 degrees, respectively. For the <(MS)over bar > charm quark mass m(c)(m(c)) = (1.30 +/- 0.05) GeV and vertical bar V-us vertical bar = 0.2248 the NLO value P-c(X) = 0.37 +/- 0.06 is modified to P-c(X) = 0.38 +/- 0.04 at NNLO and the error is fully dominated by the uncertainty in m(c)(m(c)). We tabulate P-c(X) in terms of m(c)(m(c)) and alpha(s)(M-Z) and express the dependences of P-c(X) on these and other parameters by an accurate approximate analytic formula. We find B(K+ -> pi+v (v) over bar) = (8.0 +/- 1.1) x 10(-11) and the quoted uncertainty mainly stems from m(c)(m(c)) and the Cabibbo-Kobayashi-Maskawa elements. We also emphasize that improved calculations of the long-distance contributions to K+ -> pi+v (v) over bar and of the isospin breaking in the weak current matrix element will further sharpen the sensitivity of the two golden K -> pi v (v) over bar decays to new physics. C1 Tech Univ Munich, Dept Phys, D-85748 Garching, Germany. Univ Karlsruhe, Inst Theoret Teilchenphys, D-76128 Karlsruhe, Germany. Univ Durham, Dept Phys, IPPP, Durham DH1 3LE, England. Fermilab Natl Accelerator Lab, Dept Theoret Phys, Batavia, IL 60510 USA. Univ Zurich, Inst Theoret Phys, CH-8057 Zurich, Switzerland. RP Buras, AJ (reprint author), Tech Univ Munich, Dept Phys, D-85748 Garching, Germany. EM andrzej.buras@ph.tum.de; mgorbahn@particle.uni-karlsruhe.de; uhaisch@physik.unizh.ch; nierste@particle.uni-karlsruhe.de NR 102 TC 47 Z9 47 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD NOV PY 2006 IS 11 AR 002 DI 10.1088/1126-6708/2006/11/002 PG 65 WC Physics, Particles & Fields SC Physics GA 116KP UT WOS:000242801800092 ER PT J AU Buras, AJ Poschenrieder, A Uhlig, S Bardeen, WA AF Buras, Andrzej J. Poschenrieder, Anton Uhlig, Selma Bardeen, William A. TI Rare K and B decays in the littlest Higgs model without T-parity SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE rare decays; B-physics; beyond standard model ID MINIMAL FLAVOR VIOLATION; UNIVERSAL EXTRA DIMENSIONS; UNITARITY TRIANGLE; SYMMETRY; IMPACT AB We analyze rare K and B decays in the Littlest Higgs ( LH) model without Tparity. We find that the final result for the Z(0)-penguin contribution contains a divergence that is generated by the one-loop radiative corrections to the currents corresponding to the dynamically broken generators. Including an estimate of these logarithmically enhanced terms, we calculate the branching ratios for the decays K+->pi(+)vv,K-L ->pi(0)vv,B-s,B-d -> mu(+)mu(-) and B -> X(s,d)vv. We find that for the high energy scale f=O(2-3) TeV, as required by the electroweak precision studies, the enhancement of all branching ratios amounts to at most 15% over the SM values. On the technical side we identify a number of errors in the existing Feynman rules in the LH model without T-parity that could have some impact on other analyses present in the literature. Calculating penguin and box diagrams in the unitary gauge, we find divergences in both contributions that are cancelled in the sum except for the divergence mentioned above. C1 Tech Univ Munich, Dept Phys, D-85748 Garching, Germany. Fermilab Astrophys Ctr, Dept Theoret Phys, Batavia, IL 60510 USA. RP Buras, AJ (reprint author), Tech Univ Munich, Dept Phys, D-85748 Garching, Germany. EM andrzej.buras@ph.tum.de; anton.poschenrieder@ph.tum.de; selma.uhlig@ph.tum.de; bardeen@fnal.gov NR 49 TC 14 Z9 14 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD NOV PY 2006 IS 11 AR 062 PG 35 WC Physics, Particles & Fields SC Physics GA 116KP UT WOS:000242801800032 ER PT J AU Dobrescu, BA Mocioiu, I AF Dobrescu, Bogdan A. Mocioiu, Irina TI Spin-dependent macroscopic forces from new particle exchange SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE beyond standard model; cosmology of theories beyond the SM ID BARYON-BARYON SCATTERING; INVERSE-SQUARE LAW; EQUIVALENCE PRINCIPLE; POTENTIAL APPROACH; DC SQUID; LIGHT PSEUDOSCALARS; NUCLEON-SCATTERING; PARAMAGNETIC SALT; SEARCH; BOSON AB Long-range forces between macroscopic objects are mediated by light particles that interact with the electrons or nucleons, and include spin-dependent static components as well as spin- and velocity-dependent components. We parametrize the long-range potential between two fermions assuming rotational invariance, and find 16 different components. Applying this result to electrically neutral objects, we show that the macroscopic potential depends on 72 measurable parameters. We then derive the potential induced by the exchange of a new gauge boson or spinless particle, and compare the limits set by measurements of macroscopic forces to the astrophysical limits on the couplings of these particles. C1 Fermilab Natl Accelerator Lab, Dept Theoret Phys, Batavia, IL 60510 USA. Penn State Univ, University Pk, PA 16802 USA. RP Dobrescu, BA (reprint author), Fermilab Natl Accelerator Lab, Dept Theoret Phys, POB 500, Batavia, IL 60510 USA. EM bdob@fnal.gov; irina@phys.psu.edu NR 48 TC 54 Z9 56 U1 3 U2 8 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD NOV PY 2006 IS 11 AR 005 DI 10.1088/1126-6708/2006/11/005 PG 29 WC Physics, Particles & Fields SC Physics GA 116KP UT WOS:000242801800089 ER PT J AU Goldberg, H Perez, G Sarcevic, I AF Goldberg, Haim Perez, Gilad Sarcevic, Ina TI Mini Z ' burst from relic supernova neutrinos and late neutrino masses SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE cosmology of theories beyond the SM; neutrino physics ID STELLAR COLLAPSE; MAJORON MODEL; OSCILLATION; SN1987A; 1987A; LIGHT; FLUX AB In models in which neutrinos are light, due to a low scale of symmetry breaking, additional light bosons are generically present. We show that the interaction between diffuse supernova relic neutrinos (SRN) and the cosmic background neutrinos, via exchange of these light scalars, can result in a dramatic change of the supernova (SN) neutrinos flux. Measurement of this effect with current or future experiments can provide a spectacular direct evidence for the low scale models. We demonstrate how the observation of neutrinos from SN1987A constrains the symmetry breaking scale of the above models. We also discuss how current and future experiments may confirm or further constrain the above models, either by detecting the "accumulative resonance" that diffuse SRN go through or via a large suppression of the flux of neutrinos from nearby less than or similar to O (Mpc) SN bursts. C1 Northeastern Univ, Dept Phys, Boston, MA 02115 USA. Univ Calif Berkeley, Ernest Orlando Lawrence Berkeley Natl Lab, Theoret Phys Grp, Berkeley, CA 94720 USA. Univ Arizona, Dept Phys, Tucson, AZ 85721 USA. RP Goldberg, H (reprint author), Northeastern Univ, Dept Phys, Boston, MA 02115 USA. EM goldberg@neu.edu; perez@max2.physics.sunysb.edu; ina@physics.arizona.edu NR 60 TC 12 Z9 12 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD NOV PY 2006 IS 11 AR 023 DI 10.1088/1126-6708/2006/11/023 PG 22 WC Physics, Particles & Fields SC Physics GA 116KP UT WOS:000242801800071 ER PT J AU Boyd, MA Dixit, NM Siangphoe, U Buss, NE Salgo, MP Lange, JMA Phanuphak, P Cooper, DA Perelson, AS Ruxrungtham, K AF Boyd, Mark A. Dixit, Narendra M. Siangphoe, Umaporn Buss, Neil E. Salgo, Miklos P. Lange, Joep M. A. Phanuphak, Praphan Cooper, David A. Perelson, Alan S. Ruxrungtham, Kiat TI Viral decay dynamics in HIV-infected patients receiving ritonavir-boosted saquinavir and efavirenz with or without enfuvirtide: A randomized, controlled trial (HIV-NAT 012) SO JOURNAL OF INFECTIOUS DISEASES LA English DT Article; Proceedings Paper CT 12th Conference on Retroviruses and Opportunistic Infections CY FEB 22-25, 2005 CL Boston, MA ID PLASMA DRUG CONCENTRATIONS; HIV-1-INFECTED PATIENTS; ANTIRETROVIRAL THERAPY; CLEARANCE RATE; IN-VIVO; REPLICATION; COMBINATION; EFFICACY; REGIMEN AB The availability of enfulvirtide enables assessment of whether human immunodeficiency virus (HIV) decay can be enhanced by targeting reverse transcriptase, protease, and fusion. We performed a 12-week study of 22 patients randomized to receive ritonavir-boosted saquinavir and efavirenz with (the 3-target arm) or without (the 2-target arm) enfuvirtide. We observed no difference in the mean +/- SD elimination-rate constant for overall decay (0.142 +/- 0.040 per day and 0.128 +/- 0.033 per day in the 2- and 3-target arms, respectively; P >.1) or for modeled first-phase decay rate (-0.62 +/- 0.34 per day and -0.51 +/- 0.16 per day, P > .1). Antiretroviral therapy that inhibits HIV reverse transcriptase and protease exerts potent antiviral effects that might not be augmented by the addition of an HIV fusion inhibitor. C1 Flinders Med Ctr, Dept Microbiol & Infect Dis, Bedford Pk, SA 5042, Australia. Flinders Univ S Australia, Bedford Pk, SA 5042, Australia. Chulalongkorn Univ, Fac Med, Bangkok, Thailand. Univ New S Wales, Natl Ctr HIV Epidemiol & Clin Res, Sydney, NSW, Australia. Indian Inst Sci, Dept Chem Engn, Bangalore 560012, Karnataka, India. Univ Amsterdam, Acad Med Ctr, Ctr Poverty Related Communicable Dis, Amsterdam, Netherlands. F Hoffmann La Roche & Co Ltd, CH-4002 Basel, Switzerland. Int Antiviral Therapy Evaluat Ctr, Amsterdam, Netherlands. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM USA. RP Boyd, MA (reprint author), Flinders Med Ctr, Dept Microbiol & Infect Dis, Rm 503041,Dr Mark Boyd, Bedford Pk, SA 5042, Australia. EM mark.boyd@fmc.sa.guv.au FU NCRR NIH HHS [R01 RR06555]; NIAID NIH HHS [R37 AI28433] NR 16 TC 9 Z9 9 U1 0 U2 0 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0022-1899 J9 J INFECT DIS JI J. Infect. Dis. PD NOV 1 PY 2006 VL 194 IS 9 BP 1319 EP 1322 DI 10.1086/508291 PG 4 WC Immunology; Infectious Diseases; Microbiology SC Immunology; Infectious Diseases; Microbiology GA 097AJ UT WOS:000241418100018 PM 17041859 ER PT J AU Codd, R Lay, PA Tsibakhashvili, NY Kalabegishvili, TL Murusidze, IG Holman, HYN AF Codd, Rachel Lay, Peter A. Tsibakhashvili, Nelly Ya. Kalabegishvili, Tamaz L. Murusidze, Ivane G. Holman, Hoi-Ying N. TI Chromium(V) complexes generated in Arthrobacter oxydans by simulation analysis of EPR spectra SO JOURNAL OF INORGANIC BIOCHEMISTRY LA English DT Article DE chromium(V); electron paramagnetic resonance; simulation analysis; Arthrobacter oxydans ID LOW-FREQUENCY EPR; TRIFLUOROMETHANESULFONIC ACID; PEPTIDE COMPLEXES; REDUCTION; CR(V); CELL; DEGLYCOSYLATION; GLYCOPROTEINS; CHROMATE; BACTERIA AB Chromium(V) is an intermediate formed during the reduction of Cr(VI) to Cr(III) compounds by various bacteria. However, little is known about the nature, localization and reactivity of Cr(V) species in microbial systems. Electron paramagnetic resonance (EPR) spectroscopy was used to study the nature of Cr(V) complexes generated in basalt-inhabiting Gram-positive Arthrobacter oxydans bacteria after exposure to high concentrations of Cr(VI). Numerical simulations of the EPR spectroscopic data provide strong evidence for at least two different diolato-type oxoCr(V) complexes (I, g(iso) = 1.9801; II, g(iso) = 1.9796) involving bacterial cell wall macromolecules in the Cr(Vl)-A. oxydans system. The relative concentrations of the two oxoCr(V)-diolato species differ when Cr(VI) is incubated with either untreated A. oxydans cells (I:II similar to 50:50) or lyophilized cells (I:II similar to 10:90). Based upon the magnitudes of the proton superhyperfine coupling constants ((1)H a(iso)) for species I and II, the EPR simulation model is unable to distinguish unambiguously whether the oxoCr(V)-diolato species are linear alkoxides or cyclic diols (carbohydrates). The oxygen-containing functional groups associated with teichoic acids are the most likely candidates for complexation with the Cr(V) ion. (c) 2006 Elsevier Inc. All rights reserved. C1 Univ Sydney, Sch Chem, Ctr Heavy Met Res, Sydney, NSW 2006, Australia. Andronikashvili Inst Phys, GE-0177 Tbilisi, Rep of Georgia. Lawrence Berkeley Natl Lab, Ctr Environm Biotechnol, Berkeley, CA 94720 USA. RP Codd, R (reprint author), Univ Sydney, Sch Chem, Ctr Heavy Met Res, Sydney, NSW 2006, Australia. EM rcodd@chem.usyd.edu.au; ntsiba@gol.ge RI Codd, Rachel/C-1202-2012; Lay, Peter/B-4698-2014; Holman, Hoi-Ying/N-8451-2014; OI Codd, Rachel/0000-0002-2703-883X; Holman, Hoi-Ying/0000-0002-7534-2625; Lay, Peter/0000-0002-3232-2720 NR 33 TC 15 Z9 15 U1 2 U2 9 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0162-0134 J9 J INORG BIOCHEM JI J. Inorg. Biochem. PD NOV PY 2006 VL 100 IS 11 BP 1827 EP 1833 DI 10.1016/j.jinorgbio.2006.07.004 PG 7 WC Biochemistry & Molecular Biology; Chemistry, Inorganic & Nuclear SC Biochemistry & Molecular Biology; Chemistry GA 108YJ UT WOS:000242274800014 PM 16959323 ER PT J AU Fick, B Malek, M Matthews, JAJ Matthews, J Meyhandan, R Mostafa, M Roberts, M Sommersg, P Wienckef, L AF Fick, B. Malek, M. Matthews, J. A. J. Matthews, J. Meyhandan, R. Mostafa, M. Roberts, M. Sommersg, P. Wienckef, L. TI The Central Laser Facility at the Pierre Auger Observatory SO JOURNAL OF INSTRUMENTATION LA English DT Article DE large detector systems for particle and astroparticle physics; detector alignment and calibration methods (lasers, sources, particle-beams) ID SPECTRUM AB The Central Laser Facility is located near the middle of the Pierre Auger Observatory in Argentina. It features an ultraviolet laser and optical components that direct a beam of calibrated, pulsed light into the sky. Light scattered from this beam produces tracks in the Auger optical detectors, which normally record nitrogen fluorescence tracks from cosmic ray air showers. The Central Laser Facility acts as a "test beam" that is used to investigate properties of the atmosphere and the air fluorescence detectors. Additionally, the laser can send a light pulse via optical fiber to the nearest surface detector tank. This signal, which occurs simulateously with light beamed into the sky, is used for the hybrid timing analysis of the surface and fluorescence detectors at the Observatory. C1 [Fick, B.] Michigan Technol Univ, Dept Phys, Houghton, MI 49931 USA. [Malek, M.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Matthews, J. A. J.] Univ New Mexico, New Mexico Ctr Particle Phys, Albuquerque, NM 87131 USA. [Matthews, J.; Meyhandan, R.] Louisiana State Univ, Dept Phys & Astron, Baton Rouge, LA 70803 USA. [Matthews, J.] So Univ, Dept Phys, Baton Rouge, LA 70813 USA. [Mostafa, M.; Wienckef, L.] Univ Utah, Dept Phys, Salt Lake City, UT 84112 USA. [Mostafa, M.; Wienckef, L.] Univ Utah, High Energy Astrophys Inst, Salt Lake City, UT 84112 USA. [Roberts, M.; Sommersg, P.] Penn State Univ, Dept Phys, University Pk, PA 16802 USA. RP Fick, B (reprint author), Michigan Technol Univ, Dept Phys, Houghton, MI 49931 USA. EM mmalek@fnal.gov NR 13 TC 40 Z9 40 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD NOV PY 2006 VL 1 AR P11003 DI 10.1088/1748-0221/1/11/P11003 PG 17 WC Instruments & Instrumentation SC Instruments & Instrumentation GA V44AL UT WOS:000202975500001 ER PT J AU Takano, J Ahrens, LA Alforque, R Bai, M Brown, K Courant, ED Ganetis, G Gardner, CJ Glenn, JW Hattori, T Huang, H Jain, A Luccio, AU MacKay, WW Okamura, M Roser, T Tsoupas, N Tepikian, S Tuozzolo, J Wood, J Zelenski, A Zeno, K AF Takano, J. Ahrens, L. A. Alforque, R. Bai, M. Brown, K. Courant, E. D. Ganetis, G. Gardner, C. J. Glenn, J. W. Hattori, T. Huang, H. Jain, A. Luccio, A. U. MacKay, W. W. Okamura, M. Roser, T. Tsoupas, N. Tepikian, S. Tuozzolo, J. Wood, J. Zelenski, A. Zeno, K. TI Helical dipole partial Siberian snake for the AGS SO JOURNAL OF INSTRUMENTATION LA English DT Article DE acceleration cavities and magnets superconducting (high-temperature superconductor; radiation hardened magnets; normal-conducting; permanent magnet devices; wigglers and undulators); instrumentation for particle accelerators and storage rings high energy (linear accelerators, synchrotrons) AB Overcoming depolarization resonances in medium class synchrotrons ( 3 to 50 GeV) is one of the key issues in accelerating a highly polarized proton beam up to very high energies. Since such synchrotrons, including the Alternating Gradient Synchrotron ( AGS) and the J-PARC Main Ring, generally do not have sufficiently long straight sections to accommodate full Siberian snakes with reasonable beam excursions, the practical solution is to use partial Siberian snakes that rotate the particle spin about a horizontal axis by a fraction of 180 degrees. For the AGS, we designed and installed a new partial Siberian snake consisting of a helical dipole magnet with a double pitch structure. The helical structure reduced the amount of transverse coupling as compared to that achieved by the previous solenoidal partial snake. This coupling led to partial depolarization at certain energies from horizontal betatron oscillations. The helical magnetic field in the snake magnet was calculated using a 3D magnetic field code TOSCA, and was optimized by segmenting the helical pitch and varying the lengths of the segments. Fabrication errors were checked and verified to be within required tolerances. Finally, the transverse field was measured by rotating harmonic coils. After installation, we achieved a 37.5% improvement in polarization - from 40% with the old solenoid to 55% with the new helical snake, thereby demonstrating that the helical partial snake is an effective device to suppress depolarization resonances in medium-sized synchrotrons. C1 [Takano, J.] RIKEN, Wako, Saitama, Japan. [Takano, J.; Ahrens, L. A.; Alforque, R.; Bai, M.; Brown, K.; Courant, E. D.; Ganetis, G.; Gardner, C. J.; Glenn, J. W.; Huang, H.; Jain, A.; Luccio, A. U.; MacKay, W. W.; Okamura, M.; Roser, T.; Tsoupas, N.; Tepikian, S.; Tuozzolo, J.; Wood, J.; Zelenski, A.; Zeno, K.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Takano, J.; Hattori, T.] Tokyo Inst Technol, Tokyo 152, Japan. RP Takano, J (reprint author), RIKEN, Wako, Saitama, Japan. EM magnet@riken.jp NR 23 TC 3 Z9 3 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD NOV PY 2006 VL 1 AR P11002 DI 10.1088/1748-0221/1/11/P11002 PG 23 WC Instruments & Instrumentation SC Instruments & Instrumentation GA V44AL UT WOS:000202975500002 ER PT J AU Volegov, PL Matlachov, AN Kraus, RH AF Volegov, P. L. Matlachov, A. N. Kraus, R. H., Jr. TI Ultra-low field NMR measurements of liquids and gases with short relaxation times SO JOURNAL OF MAGNETIC RESONANCE LA English DT Article DE ultra-low field; NMR; microtesla; transient; noise; fast relaxation ID MICROTESLA MAGNETIC-FIELDS; SQUID DETECTED NMR; BIOMAGNETIC SIGNALS; DC SQUID; RESONANCE; MRI AB Interest in nuclear magnetic resonance measurements at ultra-low magnetic fields (ULF, similar to mu T fields) has been motivated by various benefits and novel applications including narrow NMR peak-width, negligible susceptibility artifacts, imaging of samples inside metal containers, and possibility of directly imaging neuronal currents. ULF NMR/MRI is also compatible with simultaneous measurements of biomagnetic signals. However the most widely used technique in ULF NMR-prepolarization at high field and measurement at lower field-results in large transient signals which distort the free induction decay signal. This is especially severe for the measurement of signals from samples and materials with short T, time. We have devised an approach that largely cancels the transient signals. The technique was successfully used to measure NMR signals from liquids and gases with T, in the range 1-4 ms. (c) 2006 Elsevier Inc. All rights reserved. C1 Los Alamos Natl Lab, Biol & Quantum Phys Grp, Los Alamos, NM 87545 USA. RP Kraus, RH (reprint author), Los Alamos Natl Lab, Biol & Quantum Phys Grp, Los Alamos, NM 87545 USA. EM rkraus@lanl.gov NR 27 TC 12 Z9 12 U1 2 U2 11 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1090-7807 J9 J MAGN RESON JI J. Magn. Reson. PD NOV PY 2006 VL 183 IS 1 BP 134 EP 141 DI 10.1016/j.jmr.2006.07.021 PG 8 WC Biochemical Research Methods; Physics, Atomic, Molecular & Chemical; Spectroscopy SC Biochemistry & Molecular Biology; Physics; Spectroscopy GA 106VW UT WOS:000242131100015 PM 16945561 ER PT J AU Ni, H Li, XD Cheng, GS Klie, R AF Ni, Hai Li, Xiaodong Cheng, Guosheng Klie, Robert TI Elastic modulus of single-crystal GaN nanowires SO JOURNAL OF MATERIALS RESEARCH LA English DT Article ID GALLIUM NITRIDE NANOWIRES; LARGE-SCALE SYNTHESIS; NANOINDENTATION TECHNIQUES; MECHANICAL-PROPERTIES; SILICA NANOWIRES; ZNO NANORODS; BLUE; LONG; DEPOSITION; GROWTH AB The deformation behavior of single-crystal GaN nanowires was studied by directly performing three-point bending tests on each individual nanowire in an atomic force microscope. The elastic modulus calculated from the load-displacement response of the nanowires was 43.9 +/- 2.2 GPa. Single-crystal GaN nanowires investigated in this study were synthesized by chemical vapor deposition techniques based on the vapor-liquid-solid growth mechanism and had a diameter range from 60 to 110 nm. Crystalline GaN nanowires did not show obvious plastic deformation in bending and usually failed in a brittle manner. C1 Univ S Carolina, Dept Mech Engn, Columbia, SC 29208 USA. Yale Univ, Dept Elect Engn, New Haven, CT 06520 USA. Yale Univ, Dept Appl Phys, New Haven, CT 06520 USA. Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Li, XD (reprint author), Univ S Carolina, Dept Mech Engn, Columbia, SC 29208 USA. EM lixiao@engr.sc.edu RI Li, Xiaodong/B-6530-2008; Cheng, Guosheng/S-3401-2016 OI Cheng, Guosheng/0000-0003-4810-9403 NR 38 TC 23 Z9 23 U1 3 U2 16 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0884-2914 J9 J MATER RES JI J. Mater. Res. PD NOV PY 2006 VL 21 IS 11 BP 2882 EP 2887 DI 10.1557/JMR.2006.0350 PG 6 WC Materials Science, Multidisciplinary SC Materials Science GA 102WF UT WOS:000241843300020 ER PT J AU Zhou, HJ Park, TJ Wong, SS AF Zhou, Hongjun Park, Tae-Jin Wong, Stanislaus S. TI Synthesis, characterization, and photocatalytic properties of pyrochlore Bi2Ti2O7 nanotubes SO JOURNAL OF MATERIALS RESEARCH LA English DT Article ID ONE-DIMENSIONAL NANOSTRUCTURES; BI4TI3O12 THIN-FILMS; ELECTRICAL-PROPERTIES; TITANIA NANOTUBES; GROWTH; TRANSFORMATION; DEPOSITION AB Bismuth titanate (Bi2Ti2O7) nanotubes were successfully synthesized with an alumina template-based sol-gel technique. As-synthesized nanotubes are smooth and uniform with diameters ranging from 180 to 330 nm and lengths varying from 7 to 12 mu m. Extensive characterization of as-prepared samples has been performed using x-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), high-resolution TEM (HRTEM), energy-dispersive x-ray spectroscopy (EDS), and selected-area electron diffraction (SAED). Photocatalytic studies indicate that as-prepared nanotubes possess higher photocatalytic activity than the corresponding bulk sample prepared without the use of an alumina template. C1 SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Wong, SS (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. EM sswong@notes.cc.sunysb.edu RI Zhou, Hongjun/A-1304-2011 NR 31 TC 19 Z9 19 U1 3 U2 25 PU MATERIALS RESEARCH SOCIETY PI WARRENDALE PA 506 KEYSTONE DR, WARRENDALE, PA 15086 USA SN 0884-2914 J9 J MATER RES JI J. Mater. Res. PD NOV PY 2006 VL 21 IS 11 BP 2941 EP 2947 DI 10.1557/JMR.2006.0362 PG 7 WC Materials Science, Multidisciplinary SC Materials Science GA 102WF UT WOS:000241843300029 ER PT J AU Lee, AJ Kelly, H Jagoda, R Rosenfeld, A Stubee, E Colaco, J Gadgil, A Akbari, H Norford, L van Burik, H AF Lee, A. J. Kelly, H. Jagoda, R. Rosenfeld, A. Stubee, E. Colaco, J. Gadgil, A. Akbari, H. Norford, L. van Burik, H. TI Affordable, safe housing based on expanded polystyrene (EPS) foam and a cementitious coating SO JOURNAL OF MATERIALS SCIENCE LA English DT Article; Proceedings Paper CT Brasil Conference on Non-Conventional Materials and Technologies in the Eco-Construction and Infrastructure CY OCT-NOV -, 2004 CL Pirassununga, BRAZIL AB This paper describes an ongoing project to demonstrate an affordable, safe, and energy-efficient housing technology based on expanded polystyrene (EPS) panels with a cementitious coating. The concepts being described are (1) EPS panels embedded with galvanized steel trusses, steel mesh welded or clipped to the protruding points of the trusses and finished with a coating of cement plaster; (2) fiber-reinforced cement board panels and a core of EPS, glued together with high-strength adhesive, dried under high pressure, and connected with cellulose fiber cement board splines; and (3) EPS panels coated with a fiber-reinforced composite. The scope of this project is to model energy flows, analyze costs, simulate seismic forces, test against environmental conditions, and build pilot houses initially in California, Texas and Afghanistan. Results from air quality and energy flow analyses, preliminary cost modeling, structural calculations, and fire testing are reported. The performance goals address seismic safety; energy efficiency in extreme temperatures to reduce fuel use and indoor air quality hazards; affordability and simplicity of construction, as well as ease of expansion for future development; local employment opportunities and small-scale capital investments; and finally, cultural acceptance through education and adaptation to traditional architecture. C1 Federat Amer Scientists, Washington, DC 20002 USA. Calif Energy Commiss, Publ Interest Energy Res, Sacramento, CA USA. CBM Engineers Inc, Houston, TX USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. MIT, Dept Architecture, Cambridge, MA 02139 USA. Shelter Life, Oshkosh, WI USA. RP Lee, AJ (reprint author), Federat Amer Scientists, 307 Massachusetts Ave NE, Washington, DC 20002 USA. EM audrey.j.lee@gmail.com OI Gadgil, Ashok/0000-0002-0357-9455 NR 11 TC 3 Z9 3 U1 0 U2 10 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 0022-2461 J9 J MATER SCI JI J. Mater. Sci. PD NOV PY 2006 VL 41 IS 21 BP 6908 EP 6916 DI 10.1007/s10853-006-0223-4 PG 9 WC Materials Science, Multidisciplinary SC Materials Science GA 109CQ UT WOS:000242285900003 ER PT J AU Carlson, BC AF Carlson, B. C. TI Some reformulated properties of Jacobian elliptic functions SO JOURNAL OF MATHEMATICAL ANALYSIS AND APPLICATIONS LA English DT Article DE Jacobian elliptic functions; symmetric elliptic integral AB Various properties of Jacobian elliptic functions can be put in a form that remains valid under permutation of the first three of the letters c, d, n, and s that are used in pairs to name the functions. In most cases 12 formulas are thereby replaced by three: one for the three names that end in s, one for the three that begin with s, and one for the six that do not involve s. The properties thus unified in the present paper are linear relations between squared functions (16 relations being replaced by five), differential equations, and indefinite integrals of odd powers of a single function. In the last case the unification entails the elementary function R-C(x, y) = R-F(x, y, y), where R-F(x, y, z) is the symmetric elliptic integral of the first kind. Explicit expressions in terms of RC are given for integrals of first and third powers, and alternative expressions are given with RC replaced by inverse circular, inverse hyperbolic, or logarithmic functions. Three recurrence relations for integrals of odd powers hold also for integrals of even powers. Published by Elsevier Inc. C1 Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Math, Ames, IA 50011 USA. RP Carlson, BC (reprint author), Iowa State Univ, Ames Lab, 136 Wilhelm Hall, Ames, IA 50011 USA. EM bcarlson@scl.ameslab.gov NR 8 TC 1 Z9 1 U1 0 U2 1 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0022-247X J9 J MATH ANAL APPL JI J. Math. Anal. Appl. PD NOV 1 PY 2006 VL 323 IS 1 BP 522 EP 529 DI 10.1016/j.jmaa.2005.10.063 PG 8 WC Mathematics, Applied; Mathematics SC Mathematics GA 084WV UT WOS:000240566000039 ER PT J AU Yang, DL Barbero, RS Devlin, DJ Cussler, EL Colling, CW Carrera, ME AF Yang, Dali Barbero, Robert S. Devlin, David J. Cussler, E. L. Colling, Craig W. Carrera, Martin E. TI Hollow fibers as structured packing for olefin/paraffin separations (vol 279, pg 61, 2006) SO JOURNAL OF MEMBRANE SCIENCE LA English DT Correction C1 Univ Minnesota, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA. Los Alamos Natl Lab, MST 7, Los Alamos, NM 87545 USA. BP Amoco Chem Co, Naperville, IL 60563 USA. RP Cussler, EL (reprint author), Univ Minnesota, Dept Chem Engn & Mat Sci, 421 Washington Ave SE, Minneapolis, MN 55455 USA. EM cussl001@umn.edu NR 1 TC 20 Z9 28 U1 1 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0376-7388 J9 J MEMBRANE SCI JI J. Membr. Sci. PD NOV 1 PY 2006 VL 284 IS 1-2 BP 431 EP 431 DI 10.1016/j.memsci.2006.07.030 PG 1 WC Engineering, Chemical; Polymer Science SC Engineering; Polymer Science GA 097FC UT WOS:000241431400045 ER PT J AU Scott, JR Yan, BZ Stoner, DL AF Scott, Jill R. Yan, Beizhan Stoner, Daphne L. TI Spatially-correlated mass spectrometric analysis of microbe-mineral interactions SO JOURNAL OF MICROBIOLOGICAL METHODS LA English DT Article DE minerals; bacteria; laser desorption; chemical imaging; mass spectrometry; Burkholderia vietnamiensis AB A new methodology for examining the interactions of microbes with heterogeneous minerals is presented. Imaging laser desorption Fourier transform mass spectrometry was used to examine the colonization patterns of Burkholderia vietnamiensis G4 (previously Burkholderia cepacia G4) on a heterogeneous basalt sample. Depth-profile imaging found that the bacterium preferentially colonized the plagioclase mineral phase within the basalt. (c) 2006 Elsevier B.V. All rights reserved. C1 Univ Idaho, Dept Chem, Idaho Falls, ID 83402 USA. Idaho Natl Engn Lab, Dept Chem, Idaho Falls, ID 83415 USA. RP Stoner, DL (reprint author), Univ Idaho, Dept Chem, 1776 Sci Ctr Dr,Suite 306, Idaho Falls, ID 83402 USA. EM stondl@if.uidaho.edu NR 9 TC 10 Z9 10 U1 0 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-7012 J9 J MICROBIOL METH JI J. Microbiol. Methods PD NOV PY 2006 VL 67 IS 2 BP 381 EP 384 DI 10.1016/j.mimet.2006.04.020 PG 4 WC Biochemical Research Methods; Microbiology SC Biochemistry & Molecular Biology; Microbiology GA 097FT UT WOS:000241433100022 PM 16815575 ER PT J AU Hsueh, CH Luttrell, CR Cui, T AF Hsueh, C. H. Luttrell, C. R. Cui, T. TI Thermal stress analyses of multilayered films on substrates and cantilever beams for micro sensors and actuators SO JOURNAL OF MICROMECHANICS AND MICROENGINEERING LA English DT Article ID PZT THIN-FILM; MEMS APPLICATIONS; DEFORMATION AB Thermal stress-induced damage in multilayered films formed on substrates and cantilever beams is a major reliability issue for the fabrication and application of micro sensors and actuators. Using closed-form predictive solutions for thermal stresses in multilayered systems, specific results are calculated for the thermal stresses in PZT/Pt/Ti/SiO2/Si3N4/SiO2 film layers on Si substrates and PZT/Pt/Ti/SiO2 film layers on Si3N4 cantilever beams. When the thickness of the film layer is negligible compared to the substrate, thermal stresses in each film layer are controlled by the thermomechanical mismatch between the individual film layer and the substrate, and the modification of thermal stresses in each film layer by the presence of other film layers is insignificant. On the other hand, when the thickness of the film layer is not negligible compared to the cantilever beam, thermal stresses in each film layer can be controlled by adjusting the properties and thickness of each layer. The closed-form solutions provide guidelines for designing multilayered systems with improved reliability. C1 Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. Univ Minnesota, Dept Mech Engn, Minneapolis, MN 55455 USA. RP Hsueh, CH (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, POB 2008, Oak Ridge, TN 37831 USA. EM hsuehc@ornl.gov RI Hsueh, Chun-Hway/G-1345-2011 NR 23 TC 17 Z9 17 U1 1 U2 13 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0960-1317 J9 J MICROMECH MICROENG JI J. Micromech. Microeng. PD NOV PY 2006 VL 16 IS 11 BP 2509 EP 2515 DI 10.1088/0960-1317/16/11/036 PG 7 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Instruments & Instrumentation; Physics, Applied SC Engineering; Science & Technology - Other Topics; Instruments & Instrumentation; Physics GA 107KJ UT WOS:000242169500036 ER PT J AU Elder, AD Frank, JH Swartling, J Dai, X Kaminski, CF AF Elder, A. D. Frank, J. H. Swartling, J. Dai, X. Kaminski, C. F. TI Calibration of a wide-field frequency-domain fluorescence lifetime microscopy system using light emitting diodes as light sources SO JOURNAL OF MICROSCOPY-OXFORD LA English DT Article ID IMAGING MICROSCOPY; BIOMEDICAL APPLICATIONS; MICROFLUIDIC DEVICES; LASER; RESOLUTION; PROTEINS; FLIM; SUPPRESSION; DECAYS; CELLS AB High brightness light emitting diodes are an inexpensive and versatile light source for wide-field frequency-domain fluorescence lifetime imaging microscopy. In this paper a full calibration of an LED based fluorescence lifetime imaging microscopy system is presented for the first time. A radio-frequency generator was used for simultaneous modulation of light emitting diode (LED) intensity and the gain of an intensified charge coupled device (CCD) camera. A homodyne detection scheme was employed to measure the demodulation and phase shift of the emitted fluorescence, from which phase and modulation lifetimes were determined at each image pixel. The system was characterized both in terms of its sensitivity to measure short lifetimes (500 ps to 4 ns), and its capability to distinguish image features with small lifetime differences. Calibration measurements were performed in quenched solutions containing Rhodamine 6G dye and the results compared to several independent measurements performed with other measurement methodologies, including time correlated single photon counting, time gated detection, and acousto optical modulator (AOM) based modulation of excitation sources. Results are presented from measurements and simulations. The effects of limited signal-to-noise ratios, baseline drifts and calibration errors are discussed in detail. The implications of limited modulation bandwidth of high brightness, large area LED devices (similar to 40 MHz for devices used here) are presented. The results show that phase lifetime measurements are robust down to sub ns levels, whereas modulation lifetimes are prone to errors even at large signal-to-noise ratios. Strategies for optimizing measurement fidelity are discussed. Application of the fluorescence lifetime imaging microscopy system is illustrated with examples from studies of molecular mixing in microfluidic devices and targeted drug delivery research. C1 Univ Cambridge, Dept Chem Engn, Cambridge CB2 3RA, England. Sandia Natl Labs, Livermore, CA USA. RP Kaminski, CF (reprint author), Univ Cambridge, Dept Chem Engn, Pembroke St, Cambridge CB2 3RA, England. EM cfk23@cam.ac.uk NR 48 TC 22 Z9 22 U1 2 U2 13 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0022-2720 J9 J MICROSC-OXFORD JI J. Microsc.-Oxf. PD NOV PY 2006 VL 224 BP 166 EP 180 DI 10.1111/j.1365-2818.2006.01689.x PN 2 PG 15 WC Microscopy SC Microscopy GA 117HK UT WOS:000242863700007 PM 17204064 ER PT J AU Roh, Y Vali, H Phelps, TJ Moon, JW AF Roh, Y. Vali, H. Phelps, T. J. Moon, J. -W. TI Extracellular synthesis of magnetite and metal-substituted magnetite nanoparticles SO JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY LA English DT Article; Proceedings Paper CT International Conference on Nanoscience and Nanotechnology CY NOV 10-12, 2005 CL Gwangju Inst Sci & Technol, Gwangju, SOUTH KOREA SP Gwangju Jeonnam Nano Technol Union HO Gwangju Inst Sci & Technol DE nanoparticle; magnetite; metal-substitution; microorganism; ferrite ID THERMOPHILIC BACTERIUM; REDUCTION; IRON; BIOMINERALIZATION; TEMPERATURES AB We have developed a novel microbial process that exploits the ability of Fe(III)-reducing microorganisms to produce copious amounts of extracellular magentites and metal-substituted magnetite nanoparticles. The Fe(Ill)-reducing bacteria (Theroanaerobacter ethanolicus and Shewanella sp.) have the ability to reduce Fe(III) and various metals in aqueous media and form various sized magnetite and metal-substituted magnetite nano-crystals. The Fe(III)-reducing bacteria formed metal-substituted magnetites using iron oxide plus metals (e.g., Co, Cr, Mn, Ni) under conditions of relatively low temperature (< 70 degrees C), ambient pressure, and pH values near neutral to slightly basic (pH = 6.5 to 9). Precise biological control over activation and regulation of the biosolid-state processes can produce magnetite particles of well-defined size (typically tens of nanometers) and crystallographic morphology, containing selected dopant metals into the magnetite (Fe(3-y)X(y)O(4)) structure (where X = Co, Cr, Mn, Ni). Magnetite yields of up to 20 g/L per day have been observed in 20-L vessels. Water-based ferrofluids were formed with the nanometer sized, magnetite, and metal-substituted biomagnetite particles. C1 Chonnam Natl Univ, Fac Earth Syst & Environm Sci, Kwangju 500757, South Korea. McGill Univ, Ctr Electron Microscopy, Montreal, PQ H3A 2B2, Canada. Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Roh, Y (reprint author), Chonnam Natl Univ, Fac Earth Syst & Environm Sci, Kwangju 500757, South Korea. RI Moon, Ji-Won/A-9186-2011; phelps, tommy/A-5244-2011; Vali, Hojatollah/F-3511-2012 OI Moon, Ji-Won/0000-0001-7776-6889; Vali, Hojatollah/0000-0003-3464-9943 NR 12 TC 30 Z9 30 U1 1 U2 10 PU AMER SCIENTIFIC PUBLISHERS PI STEVENSON RANCH PA 25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA SN 1533-4880 J9 J NANOSCI NANOTECHNO JI J. Nanosci. Nanotechnol. PD NOV PY 2006 VL 6 IS 11 BP 3517 EP 3520 DI 10.1166/jnn.2006.047 PG 4 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 113MC UT WOS:000242601000048 PM 17252802 ER PT J AU van Drongelen, W Koch, H Elsen, FP Lee, HC Mrejeru, A Doren, E Marcuccilli, CJ Hereld, M Stevens, RL Ramirez, JM AF van Drongelen, Wim Koch, Henner Elsen, Frank P. Lee, Hyong C. Mrejeru, Ana Doren, Erin Marcuccilli, Charles J. Hereld, Mark Stevens, Rick L. Ramirez, Jan-Marino TI Role of persistent sodium current in bursting activity of mouse neocortical networks in vitro SO JOURNAL OF NEUROPHYSIOLOGY LA English DT Article ID RESPIRATORY RHYTHM GENERATION; HIGH-FREQUENCY OSCILLATIONS; TEMPORAL-LOBE EPILEPSY; RAT CORTICAL-NEURONS; LAYER-V NEURONS; PYRAMIDAL NEURONS; PACEMAKER NEURONS; ELECTROGRAPHIC SEIZURES; EPILEPTIFORM ACTIVITY; SLEEP OSCILLATIONS AB Role of persistent sodium current in bursting activity of mouse neocortical networks in vitro. J Neurophysiol 96: 2564-2577, 2006. First published July 26, 2006; doi:10.1152/jn.00446.2006. Most types of electrographic epileptiform activity can be characterized by isolated or repetitive bursts in brain electrical activity. This observation is our motivation to determine mechanisms that underlie bursting behavior of neuronal networks. Here we show that the persistent sodium (Na-P) current in mouse neocortical slices is associated with cellular bursting and our data suggest that these cells are capable of driving networks into a bursting state. This conclusion is supported by the following observations. 1) Both low concentrations of tetrodotoxin (TTX) and riluzole reduce and eventually stop network bursting while they simultaneously abolish intrinsic bursting properties and sensitivity levels to electrical stimulation in individual intrinsically bursting cells. 2) The sensitivity levels of regular spiking neurons are not significantly affected by riluzole or TTX at the termination of network bursting. 3) Propagation of cellular bursting in a neuronal network depended on excitatory connectivity and disappeared on bath application of CNQX (20 mu M) + CPP (10 mu M). 4) Voltage-clamp measurements show that riluzole (20 mu M) and very low concentrations of TTX (50 nM) attenuate Na-P currents in the neural membrane within a 1-min interval after bath application of the drug. 5) Recordings of synaptic activity demonstrate that riluzole at this concentration does not affect synaptic properties. 6) Simulations with a neocortical network model including different types of pyramidal cells, inhibitory interneurons, neurons with and without Na-P currents, and recurrent excitation confirm the essence of our experimental observations that Na-P conductance can be a critical factor sustaining slow population bursting. C1 Univ Chicago, Dept Pediat, Chicago, IL 60637 USA. Univ Chicago, Computat Inst, Chicago, IL 60637 USA. Univ Chicago, Dept Anat & Organismal Biol, Chicago, IL 60637 USA. Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP van Drongelen, W (reprint author), Univ Chicago, Dept Pediat, C372,MC 3055,5841 S Maryland Ave, Chicago, IL 60637 USA. EM wvandron@peds.bsd.uchicago.edu OI Hereld, Mark/0000-0002-0268-2880; van Drongelen, Wim/0000-0001-8950-5424 NR 83 TC 38 Z9 38 U1 0 U2 2 PU AMER PHYSIOLOGICAL SOC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814 USA SN 0022-3077 J9 J NEUROPHYSIOL JI J. Neurophysiol. PD NOV PY 2006 VL 96 IS 5 BP 2564 EP 2577 DI 10.1152/jn.00446.2006 PG 14 WC Neurosciences; Physiology SC Neurosciences & Neurology; Physiology GA 095SP UT WOS:000241328900036 PM 16870839 ER PT J AU Lawniczak-Jablonska, K Demchenko, IN Piskorska, E Wolska, A Talik, E Zakharov, DN Liliental-Weber, Z AF Lawniczak-Jablonska, K. Demchenko, I. N. Piskorska, E. Wolska, A. Talik, E. Zakharov, D. N. Liliental-Weber, Z. TI Examination of local structure of composite and low dimension semiconductor with X-ray absorption spectroscopy SO JOURNAL OF NON-CRYSTALLINE SOLIDS LA English DT Article; Proceedings Paper CT 3rd International Conference on Physics of Disordered Systems CY SEP 18-21, 2005 CL Gdansk Sobieszewo, POLAND SP Gdansk Univ Technol, Dept Solid State Phys, Fac Tech Phys & Appl Math, Polish Phys Soc, TASK Comp Ctr DE X-ray absorption; nanoparticles, colloids and quantum structures ID BOND-LENGTH RELAXATION; FINE-STRUCTURE; SI1-XGEX ALLOYS; ESCA; SPECTRA; LAYERS; FILMS; TIN AB X-ray absorption methods have been successfully used to obtain quantitative information about the local atomic composition of two different materials. X-ray absorption near-edge structure analysis and X-ray photoelectron spectroscopy have allowed us to determine seven chemical compounds and their concentrations in a c-BN composite. The use of extended X-ray absorption Fine Structure in combination with transmission electron microscopy has enabled us to determine the composition and size of buried Ge quantum dots. It has been found that the quantum dots consisted of pure Ge cores covered by 1-2 monolayers of an Si-rich layer. (c) 2006 Elsevier B.V. All rights reserved. C1 Polish Acad Sci, Inst Phys, PL-02668 Warsaw, Poland. Silesian Univ, Inst Phys, PL-40007 Katowice, Poland. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Lawniczak-Jablonska, K (reprint author), Polish Acad Sci, Inst Phys, Al Lotnikow 32-46, PL-02668 Warsaw, Poland. EM jablo@ifpan.edu.pl RI Wolska, Anna/A-5818-2012; Liliental-Weber, Zuzanna/H-8006-2012; Lawniczak-Jablonska, Krystyna/J-8994-2012; Zakharov, Dmitri/F-4493-2014 OI Lawniczak-Jablonska, Krystyna/0000-0003-1042-570X; NR 22 TC 2 Z9 2 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3093 J9 J NON-CRYST SOLIDS JI J. Non-Cryst. Solids PD NOV 1 PY 2006 VL 352 IS 40-41 BP 4190 EP 4199 DI 10.1016/j.jnoncrysol.2006.07.012 PG 10 WC Materials Science, Ceramics; Materials Science, Multidisciplinary SC Materials Science GA 101CX UT WOS:000241717600007 ER PT J AU Jayaraman, B Kristoffersen, AH Finlayson, EU Gadgil, AJ AF Jayaraman, Buvaneswari Kristoffersen, Astrid H. Finlayson, Elizabeth U. Gadgil, Ashok J. TI CFD investigation of room ventilation for improved operation of a downdraft table: Novel concepts SO JOURNAL OF OCCUPATIONAL AND ENVIRONMENTAL HYGIENE LA English DT Article DE CFD modeling; contamination control; downdraft table; ventilation ID COMPUTATIONAL FLUID-DYNAMICS; SIMULATION; FLOW; MODEL AB We report a computational fluid dynamics (CFD) study of containment of airborne hazardous materials in a ventilated room containing a downdraft table. Specifically, we investigated the containment of hazardous airborne material obtainable under a range of ventilation configurations. The desirable ventilation configuration should ensure excellent containment of the hazardous material released from the workspace above the downdraft table. However, increased airflow raises operation costs, so the airflow should be as low as feasible without compromising containment. The airflow is modeled using Reynolds Averaged Navier Stokes equations with a high Reynolds number k-epsilon turbulence model. CFD predictions are examined for several ventilation configurations. Based on this study, we find that substantial improvements in containment are possible concurrent with reduction in airflow, compared with the existing design of ventilation configuration. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Indoor Environm Dept, Berkeley, CA 94720 USA. Norwegian Bldg Res Inst, Oslo, Norway. RP Jayaraman, B (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Indoor Environm Dept, Berkeley, CA 94720 USA. EM bjayaraman@lbl.gov OI Gadgil, Ashok/0000-0002-0357-9455 NR 15 TC 2 Z9 2 U1 1 U2 3 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 1545-9624 J9 J OCCUP ENVIRON HYG JI J. Occup. Environ. Hyg. PD NOV PY 2006 VL 3 IS 11 BP 583 EP 591 DI 10.1080/15459620600932551 PG 9 WC Environmental Sciences; Public, Environmental & Occupational Health SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health GA 083ZS UT WOS:000240501500003 PM 17086658 ER PT J AU Lin, XH Pena, LA Zamora, PO Campion, SL Takahashi, K AF Lin, Xinhua Pena, Louis A. Zamora, Paul O. Campion, Sarah L. Takahashi, Kazuyuki TI Augmentation of demineralized bone matrix (DBM) mineralization by a synthetic growth factor mimetic SO JOURNAL OF ORTHOPAEDIC RESEARCH LA English DT Article DE peptide; demineralized; bone; athymic; augmentation; micro-CT ID FREEZE-DRIED BONE; MORPHOGENETIC PROTEIN-2; OSTEOINDUCTIVE ACTIVITY; CALVARIAL DEFECTS; THROMBIN PEPTIDE; BINDING PEPTIDE; FACTOR-BB; INDUCTION; RABBIT; TP508 AB These studies evaluated whether F2A4-K-NS, a peptide mimetic of FGF-2, could augment ectopic bone production following the subcutaneous implant of human demineralized bone matrix (DBM). DBM was formulated into a gel with and without F2A4-K-NS, and injected subcutaneously into athymic rats. After 28 days the resultant tissue was excised and fixed. The tissue was examined with soft X-rays and microcomputerized tomography (micro-CT), and by histological methods. Inclusion of F2A4-K-NS with DBM resulted in an increased mineral deposition as determined by soft X-ray and micro-CT analysis and von Kossa staining. DBM-containing tissues showed extensive mineralization compared to the carrier alone, which was poorly mineralized. The mineralization was qualitatively and quantitatively the most extensive in the samples containing F2A4-KNS plus DBM. Additionally, the highest amount of von Kossa staining for calcium was observed in tissues from animals that had received DBM plus F2A4-K-NS. In these studies, 100 ng of peptide per 0.2 mL of injectable DBM gel generated the most optimal results. The synthetic peptide F2A4-K-NS augmented DBM-induced ectopic mineralization in athymic animals. (c) 2006 Orthopaedic Research Society. C1 Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. Biosurface Engn Technol Inc, Rockville, MD 20850 USA. RP Lin, XH (reprint author), Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. EM xlin@biosetinc.com NR 44 TC 12 Z9 12 U1 1 U2 1 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0736-0266 J9 J ORTHOP RES JI J. Orthop. Res. PD NOV PY 2006 VL 24 IS 11 BP 2051 EP 2058 DI 10.1002/jor.20215 PG 8 WC Orthopedics SC Orthopedics GA 099DV UT WOS:000241573600004 PM 16921524 ER PT J AU Gunney, BTN Wissink, AM Hysom, DA AF Gunney, Brian T. N. Wissink, Andrew M. Hysom, David A. TI Parallel clustering algorithms for structured AMR SO JOURNAL OF PARALLEL AND DISTRIBUTED COMPUTING LA English DT Article DE parallel computing; high-performance computing; task-parallel; asynchronous; clustering; adaptive mesh refinement AB We compare several different parallel implementation approaches for the clustering operations performed during adaptive meshing operations in patch-based structured adaptive mesh refinement (SAMR) applications. Specifically, we target the clustering algorithm of Berger and Rigoutsos. which is commonly used in many SAMR applications. The baseline for comparison is a single program, multiple data extension of the original algorithm that works well for up to O(10(2)) processors. Our goal is a clustering algorithm for machines of up to O(10(5)) processors, such as the 64K-processor IBM BlueGene/L (BG/L) system. We first present an algorithm that avoids unneeded communications of the baseline approach, improving the clustering speed by up to an order of magnitude. We then present a new task-parallel implementation to further reduce communication wait time, adding another order of magnitude of improvement. The new algorithms exhibit more favorable scaling behavior for our test problems. Performance is evaluated on a number of large-scale parallel computer systems, including a 16K-processor BG/L system. (C) 2006 Elsevier Inc. All rights reserved. C1 Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94550 USA. RP Gunney, BTN (reprint author), Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Mail Code L-561,POB 808, Livermore, CA 94550 USA. EM gunneyb@llnl.gov; wissink2@llnl.gov; hysom@llnl.gov NR 15 TC 19 Z9 20 U1 0 U2 0 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0743-7315 J9 J PARALLEL DISTR COM JI J. Parallel Distrib. Comput. PD NOV PY 2006 VL 66 IS 11 BP 1419 EP 1430 DI 10.1016/j.jpdc.2006.03.011 PG 12 WC Computer Science, Theory & Methods SC Computer Science GA 104MT UT WOS:000241963200007 ER PT J AU Su, FH Wang, WJ Ding, K Li, GH Liu, YF Joly, AG Chen, W AF Su, Fu Hai Wang, Wen Jie Ding, Kun Li, Guo Hua Liu, Yuangfang Joly, Alan G. Chen, Wei TI Pressure dependence of the near-band-edge photoluminescence from ZnO microrods at low temperature SO JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS LA English DT Article DE luminescence; phonon ID OPTICAL-PROPERTIES; EXCITON; NANOWIRES; SAPPHIRE; GROWTH AB The temperature and pressure dependences of band-edge photo luminescence from ZnO microrods have been investigated. The energy separation between the free exciton (FX) and its first order phonon replica (FX-1LO) decreases at a rate of k(B)T with increasing temperature. The intensity ratio of the FX-1LO to the bound exciton (BX) emission is found to decrease slightly with increasing pressure. All of the exciton emission peaks show a blue shift with increasing pressure. The pressure coefficient of the FX transition, longitudinal optical (LO) phonon energy, and binding energy of BX are estimated to be 21.4, 0.5, and 0.9 meV/GPa, respectively. (c) 2006 Elsevier Ltd. All rights reserved. C1 Univ Texas, Dept Phys, Arlington, TX 76019 USA. Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, Beijing 100083, Peoples R China. Nomadics Inc, Stillwater, OK 74074 USA. Pacific NW Natl Lab, Richland, WA 99354 USA. RP Chen, W (reprint author), Univ Texas, Dept Phys, POB 19059, Arlington, TX 76019 USA. EM weichen@uta.edu NR 21 TC 15 Z9 15 U1 1 U2 2 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0022-3697 J9 J PHYS CHEM SOLIDS JI J. Phys. Chem. Solids PD NOV PY 2006 VL 67 IS 11 BP 2376 EP 2381 DI 10.1016/j.jpcs.2006.06.017 PG 6 WC Chemistry, Multidisciplinary; Physics, Condensed Matter SC Chemistry; Physics GA 102YO UT WOS:000241849900021 ER PT J AU Zhu, JX Fransson, J AF Zhu, Jian-Xin Fransson, Jonas TI Electric field control of spin dynamics in a magnetically active tunnel junction SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID RESONANCE; MICROSCOPY; SILICON; STM AB The dynamics of a single spin embedded in a tunnelling junction is studied. Within a nonequilibrium Keldysh Green's function technique, we derive a quantum Langevin equation describing the spin dynamics. In the high temperature limit, it reduces to a Bloch equation, for which the spin relaxation rate, as determined by the temporal fluctuation, is linearly proportional to the temperature. In the opposite limit, the relaxation rate depends on the applied voltage, in contrast to the case of a spin in an equilibrium environment. We also show that spin-flip transition processes during electron tunnelling convert the applied electric field (i.e. voltage bias) into an effective magnetic field. Consequently, the dynamics of the spin, otherwise precessing along the static magnetic field, will have either a frequency shift proportional to the dc bias or a magnetic resonance driven indirectly by an ac electric field at the Larmor frequency omega(L). An experiment to measure this effect is also proposed. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Zhu, JX (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RI Fransson, Jonas/A-9238-2009; OI Zhu, Jianxin/0000-0001-7991-3918 NR 25 TC 6 Z9 6 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD NOV 1 PY 2006 VL 18 IS 43 BP 9929 EP 9936 DI 10.1088/0953-8984/18/43/014 PG 8 WC Physics, Condensed Matter SC Physics GA 095QP UT WOS:000241323000015 ER PT J AU Rasheed, A Dadmun, MD Brittz, PF AF Rasheed, Asif Dadmun, Mark D. Brittz, Phillip F. TI Polymer-nanofiber composites: Enhancing composite properties by nanofiber oxidation SO JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS LA English DT Article DE dispersions; composites; nanotechnology ID LIQUID-CRYSTALLINE POLYMER; TRUE MOLECULAR COMPOSITE; WALLED CARBON NANOTUBES; INTERMOLECULAR INTERACTIONS; FIBER COMPOSITES; BLENDS; INTERFACE; ACCESSIBILITY; MISCIBILITY; FABRICATION AB Nanocomposites of styrene and vinyl phenol copolymers, which contain varying (10, 20, and 40 mol %) vinyl phenol content, were prepared with 1 wt % unoxidized, 1 wt % oxidized, and 5 wt % oxidized carbon nanofibers. Dynamic mechanical analysis and differential scanning calorimetry indicate that the composites prepared from oxidized nanofibers exhibit improved thermal and structural properties relative to those prepared from unoxidized nanofibers. The optimum enhancement in the mechanical and thermal properties was observed for the composite containing oxidized nanofibers and the 20% vinyl phenol copolymer. These results are in excellent agreement with our previous work on carbon nanotube-polymer composites and suggest that the presence of intermolecular interactions between the copolymer matrix and nanofibers are responsible for the observed property enhancement. 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 3053-3061, 2006. C1 Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN USA. RP Dadmun, MD (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. EM dad@utk.edu NR 33 TC 15 Z9 15 U1 0 U2 7 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0887-6266 J9 J POLYM SCI POL PHYS JI J. Polym. Sci. Pt. B-Polym. Phys. PD NOV 1 PY 2006 VL 44 IS 21 BP 3053 EP 3061 DI 10.1002/polb.20930 PG 9 WC Polymer Science SC Polymer Science GA 096HP UT WOS:000241368500003 ER PT J AU El-Dasher, BS Torres, SG AF El-Dasher, Bassem S. Torres, Sharon G. TI Seconfd phase precipitation in As-welded and solution annealed alloy 22 welds SO JOURNAL OF PRESSURE VESSEL TECHNOLOGY-TRANSACTIONS OF THE ASME LA English DT Article; Proceedings Paper CT Pressure Vessels and Piping Conference of the American-Society-of-Mechanical-Engineers CY JUL 17-21, 2005 CL Denver, CO SP Amer Soc Mech Engineers DE N06022; electron backscatter diffraction; TCP phases AB The precipitation characteristics of tetrahedrally close-packed (TCP) phases during the welding and the subsequent solution annealing process of Alloy 22 1 1/2 in. thick plate double-U prototypical welds are investigated. Electron backscatter diffraction was used to provide large scale microstructural observation of the weld cross section, and scanning electron microscopy was used to map the location of the TCP phases. Analysis shows that TCP precipitation occurs congruent to the weld passes, with the solution annealing reducing the sizes of coarser precipitates. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP El-Dasher, BS (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave,L-631, Livermore, CA 94550 USA. NR 14 TC 0 Z9 0 U1 0 U2 0 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0094-9930 J9 J PRESS VESS-T ASME JI J. Press. Vessel Technol.-Trans. ASME PD NOV PY 2006 VL 128 IS 4 BP 644 EP 647 DI 10.1115/1.2349578 PG 4 WC Engineering, Mechanical SC Engineering GA 113RZ UT WOS:000242616300021 ER PT J AU Diamant, KD Pollard, JE Cohen, RB Raitses, Y Fisch, NJ AF Diamant, Kevin D. Pollard, James E. Cohen, Ronald B. Raitses, Yevgeny Fisch, Nathaniel J. TI Segmented electrode Hall thruster SO JOURNAL OF PROPULSION AND POWER LA English DT Article; Proceedings Paper CT AIAA/ASME/SAE/ASEE 40th Joint Propulsion Conference CY JUL 11-15, 2004 CL Ft Lauderdale, FL SP Amer Inst Aeronaut & Astronaut, ASME, SAE, ASEE ID PLASMA THRUSTERS; OPERATION; WALL AB Thrust, thrust efficiency, and plume divergence were measured for a 9 cm diam laboratory model Halt thruster with segmented electrodes in the discharge channel. Several geometries with graphite nonemissive electrodes, and one with a tungsten emissive electrode were tested and compared to a baseline configuration with all electrodes replaced by boron nitride segments. To within measurement uncertainty, thrust and thrust efficiency were unaffected by insertion of electrodes, with the exception of reduced efficiency for a configuration which resulted in a 20% increase in discharge current. Maximum plume half-angle reductions of 4 deg were obtained with emissive and nonemissive electrodes. C1 Aerosp Corp, Tech Staff, Propuls Sci & Expt Mech, Los Angeles, CA 90009 USA. Princeton Univ, Plasma Phys Lab, Program Plasma Phys, Princeton, NJ 08543 USA. RP Diamant, KD (reprint author), Aerosp Corp, Tech Staff, Propuls Sci & Expt Mech, M5-754, Los Angeles, CA 90009 USA. NR 20 TC 6 Z9 6 U1 0 U2 3 PU AMER INST AERONAUT ASTRONAUT PI RESTON PA 1801 ALEXANDER BELL DRIVE, STE 500, RESTON, VA 22091-4344 USA SN 0748-4658 J9 J PROPUL POWER JI J. Propul. Power PD NOV-DEC PY 2006 VL 22 IS 6 BP 1396 EP 1401 DI 10.2514/1.19417 PG 6 WC Engineering, Aerospace SC Engineering GA 111QU UT WOS:000242469900022 ER PT J AU Brock, RS Hu, XH Weidner, DA Mourant, JR Lu, JQ AF Brock, RS Hu, XH Weidner, DA Mourant, JR Lu, JQ TI Effect of detailed cell structure on light scattering distribution: FDTD study of a B-cell with 3D structure constructed from confocal images SO JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER LA English DT Article; Proceedings Paper CT NATO Advanced Research Workshop on Optics of Biological Particles CY OCT 03-06, 2005 CL Akademgorodok, RUSSIA SP NATO Sci Comm, Econova, Russian Fdn Basic Res, European Res Off USA, Off Naval Res Int Field Off, Russian Acad Sci, Siberian Branch, Inst Chem Kinet & Combust, Lab Cytometry & Biokinet DE cell scattering; B-cell; FDTD; 3D cell structure; confocal construction ID SCANNING FLOW-CYTOMETRY; RED-BLOOD-CELLS AB Human B-cells play an important role in the immune system, and because of their relatively simple structures with a nearly spherically shaped cell membrane and a large nucleus, they provide a good case to study on how the details of cell structure affect light scattering properties. A finite-difference-time-domain (FDTD) method is used to calculate angle-resolved light scattering distributions from a B-cell. Published FDTD simulations to date have used a smooth shape with a certain degree of symmetry to approximate the actual cell shape. In contrast, for this work, the shapes of the cell and its nucleus were determined from confocal microscopy measurements. An automated procedure was developed to construct a realistic three-dimensional structure of a B-cell from a stack of two-dimensional confocal images. The angle-resolved Mueller matrix elements of the B-cell were calculated and averaged for 30 different angles of incidence using a parallel FDTD code. These results were compared with those from a homogeneous and a coated sphere. Scattering from the two sphere models and the B-cell were very similar for scattering angles less than 5 degrees, and the coated sphere and B-cell agreed well for scattering angles up to 20 degrees. However, at larger angles, the scattering from the B-cell was a much smoother function of angle than scattering from either sphere model. Additionally, the homogeneous sphere results were the most similar to the B-cell results for most angles between 120 degrees and 150 degrees, and at angles greater than 150 degrees, the B-cell scattered more light than either of the spheres. These results yield strong evidence that accurate modeling of light scattering by biological cells requires not only the high accuracy of the employed numerical method but the realistic cellular structure as input information as well. (c) 2006 Elsevier Ltd. All rights reserved. C1 E Carolina Univ, Dept Phys, Greenville, NC 27858 USA. E Carolina Univ, Brody Sch Med, Dept Microbiol & Immunol, Greenville, NC 27858 USA. Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. RP Lu, JQ (reprint author), E Carolina Univ, Dept Phys, Greenville, NC 27858 USA. EM luj@ecu.edu OI Hu, Xin-Hua/0000-0001-5038-7651; Hu, Xin/0000-0002-4353-9028 NR 20 TC 37 Z9 38 U1 1 U2 9 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0022-4073 J9 J QUANT SPECTROSC RA JI J. Quant. Spectrosc. Radiat. Transf. PD NOV PY 2006 VL 102 IS 1 BP 25 EP 36 DI 10.1016/j.jqsrt.2006.02.075 PG 12 WC Optics; Spectroscopy SC Optics; Spectroscopy GA 058YU UT WOS:000238701300005 ER PT J AU Silver, GL AF Silver, G. L. TI Acidity changes in plutonium solutions: Generalized proportional equations method SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article ID EQUILIBRIUM AB Disproportionation reactions change the pH of a plutonium solution. The method of generalized proportional equations is used to estimate the magnitude of the change. It is illustrated by examples and it is easy to apply. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Silver, GL (reprint author), Los Alamos Natl Lab, POB 1663,MS E500, Los Alamos, NM 87545 USA. EM gsilver@lanl.gov NR 9 TC 0 Z9 0 U1 1 U2 2 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD NOV PY 2006 VL 270 IS 2 BP 479 EP 481 DI 10.1007/s10967-006-0375-3 PG 3 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA 096LX UT WOS:000241379700031 ER PT J AU Goheen, SC Saunders, RM Harvey, SD Olsen, PC AF Goheen, S. C. Saunders, R. M. Harvey, S. D. Olsen, P. C. TI Raman spectroscopy of 2-hydroxyethyl methacrylate-acrylamide copolymer using gamma irradiation for cross-linking SO JOURNAL OF RAMAN SPECTROSCOPY LA English DT Article DE hydrogel; polymer; vibrational spectroscopy; structure; phantom standard; radiation ID SOLID-STATE POLYMERIZATION; POLYMETHYL METHACRYLATE; RADIATION; POLYACRYLAMIDE AB A copolymer hydrogel was made by mixing acrylamide and 2-hydroxyethyl methacrylate monomers in water and polymerizing with gamma irradiation. The progress of polymerization and the vibrational structure of the hydrogel were examined using Raman spectroscopy. Raman spectra indicated that the copolymer has a molecular structure different from polyacrylamide or the individual monomers. The Raman data also indicate the presence of cross-linking at the C=O, NH2, and OH side chains. The spectra further suggest the continuous lengthening of the backbone of the polymers with increasing gamma dose. This is shown as the increase in C-C modes as C=C vibrations decrease. Raman spectra changed most dramatically as the monomer mixture became a gel at a dose of approximately 320 Gy. Spectral differences were subtler with doses exceeding 640 Gy, although chain lengthening continued beyond 1500 Gy. Potential applications of the copolymer hydrogel include reconstructive tissue as well as a standard material for radiation protection dosimetry. Results are discussed in relation to other potential applications of this polymer and dose-dependent changes in the Raman spectrum. Published in 2006 by John Wiley & Sons, Ltd. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Western Washington Univ, Bellingham, WA 98225 USA. Washington Closure Hanford LLC, Richland, WA 99352 USA. RP Goheen, SC (reprint author), Pacific NW Natl Lab, POB 999,MS P8-08, Richland, WA 99352 USA. EM steve.goheen@pnl.gov NR 17 TC 3 Z9 3 U1 1 U2 8 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 0377-0486 J9 J RAMAN SPECTROSC JI J. Raman Spectrosc. PD NOV PY 2006 VL 37 IS 11 BP 1248 EP 1256 DI 10.1002/jrs.1543 PG 9 WC Spectroscopy SC Spectroscopy GA 108RM UT WOS:000242256900004 ER PT J AU Moriarty, P AF Moriarty, Patrick TI A message from the special issue editor SO JOURNAL OF SOLAR ENERGY ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Editorial Material C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Moriarty, P (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0199-6231 J9 J SOL ENERG-T ASME JI J. Sol. Energy Eng. Trans.-ASME PD NOV PY 2006 VL 128 IS 4 BP 421 EP 421 DI 10.1115/1.2356901 PG 1 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA 105SE UT WOS:000242051800001 ER PT J AU Corbus, D Hansen, AC Minnema, J AF Corbus, Dave Hansen, A. Craig Minnema, Jeff TI Effect of blade torsion on modeling results for the small wind research turbine (SWRT) SO JOURNAL OF SOLAR ENERGY ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Article; Proceedings Paper CT 25th AIAA/ASME Wind Energy Symposium CY JAN, 2006 CL Reno, NV SP ASME, AIAA AB The small wind research turbine (SWRT) testing project was initiated with the goal of better characterizing both small wind turbine loads and dynamic behavior The main purpose of the testing was to produce high quality data sets for model development and validation and to help the wind industry further their understanding of small wind turbine behavior including furling. Previous papers have discussed modeling results for the SWRT using the FAST aeroelastic simulator This paper summarizes modeling results from both the FAST and ADAMS aeroelastic simulators. The ADAMS model allows for blade torsional stiffness to be modeled, which is shown to significantly improve the agreement between model and test results for rotor speed and explain variances in previous comparisons between the SWRT FAST modeling results and the SWRT test data. The ADAMS model results also show that the aerodynamic pitching moment impacts the blade torsion more than the inertial forces. C1 Natl Renewable Energy Lab, Natl Wind Technol Ctr, Golden, CO 80401 USA. Windward Engn LLC, Salt Lake City, UT 84117 USA. RP Corbus, D (reprint author), Natl Renewable Energy Lab, Natl Wind Technol Ctr, 1617 Cole Blvd, Golden, CO 80401 USA. NR 8 TC 1 Z9 1 U1 0 U2 2 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0199-6231 J9 J SOL ENERG-T ASME JI J. Sol. Energy Eng. Trans.-ASME PD NOV PY 2006 VL 128 IS 4 BP 481 EP 486 DI 10.1115/1.2349551 PG 6 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA 105SE UT WOS:000242051800008 ER PT J AU Stol, KA Zhao, WX Wright, AD AF Stol, Karl A. Zhao, Wenxin Wright, Alan D. TI Individual blade pitch control for the controls advanced research turbine (CART) SO JOURNAL OF SOLAR ENERGY ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Article; Proceedings Paper CT 25th AIAA/ASME Wind Energy Symposium CY JAN, 2006 CL Reno, NV SP ASME, AIAA ID LOAD REDUCTION AB Pitching the individual blades of a horizontal-axis wind turbine allows control of asymmetric aerodynamic loads, which in turn influences structural loads in the nonrotating frame such as tower side-side bending. These loads are not easily controlled by traditional collective pitch algorithms. This paper presents the design of individual pitch control systems for implementation on the Controls Advanced Research Turbine (CART) in Colorado to verify controller performance for load attenuation. The control designs are based on linear time-periodic state-space models of the turbine and use optimal control methods for gain calculation. Comparisons are made between new individual pitch, new collective pitch, and baseline controller performance in both above rated and below rated wind conditions. Results from simulations show the potential of individual pitch to reduce tower side-side fatigue damage in above rated wind speeds (by 70% compared to baseline control) but with no improvement over collective pitch in below rated wind speeds. Fatigue load reductions in tower fore-aft, shaft torsion, and blade flap are also observed. From 13 h of field testing, both collective and individual pitch controllers achieve a reduction in fatigue damage. However the superior performance of individual pitch control observed in simulation was not verified by the field test results. C1 Univ Auckland, Dept Mech Engn, Auckland 1, New Zealand. Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Stol, KA (reprint author), Univ Auckland, Dept Mech Engn, Private Bag 92019, Auckland 1, New Zealand. OI Stol, Karl/0000-0002-1661-167X NR 14 TC 41 Z9 46 U1 0 U2 6 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0199-6231 EI 1528-8986 J9 J SOL ENERG-T ASME JI J. Sol. Energy Eng. Trans.-ASME PD NOV PY 2006 VL 128 IS 4 BP 498 EP 505 DI 10.1115/1.2349542 PG 8 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA 105SE UT WOS:000242051800010 ER PT J AU Wright, AD Fingersh, LJ Balas, MJ AF Wright, Alan D. Fingersh, Lee J. Balas, Mark J. TI Testing state-space controls for the controls advanced research turbine SO JOURNAL OF SOLAR ENERGY ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Article AB Control can improve wind turbine performance by enhancing energy capture and reducing dynamic loads. At the National Renewable Energy Laboratory, we are implementing and testing state-space controls on the controls advanced research turbine (CART), a turbine specifically configured to test advanced controls. We show the design of control systems to regulate turbine speed in region 3 using rotor collective pitch and reduce dynamic loads in regions 2 and 3 using generator torque. These controls enhance damping in the first drive train torsion mode. We base these designs on sensors typically used in commercial turbines. We evaluate the performance of these controls by showing field test results. We also compare results from these modem controllers to results from a baseline controller for the CART Finally, we report conclusions to this work and outline future studies. C1 Natl Wind Technol Ctr, Natl Renewable Energy Lab, Golden, CO 80401 USA. Univ Wyoming, Dept Elect & Comp Engn, Laramie, WY 82071 USA. RP Wright, AD (reprint author), Natl Wind Technol Ctr, Natl Renewable Energy Lab, 1617 Cole Blvd,Mailstop 3811, Golden, CO 80401 USA. NR 15 TC 13 Z9 13 U1 0 U2 0 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0199-6231 J9 J SOL ENERG-T ASME JI J. Sol. Energy Eng. Trans.-ASME PD NOV PY 2006 VL 128 IS 4 BP 506 EP 515 DI 10.1115/1.2349547 PG 10 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA 105SE UT WOS:000242051800011 ER PT J AU Boukhezzar, B Siguerdidjane, H Hand, MM AF Boukhezzar, B. Siguerdidjane, H. Hand, M. Maureen TI Nonlinear control of variable-speed wind turbines for generator torque limiting and power optimization SO JOURNAL OF SOLAR ENERGY ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Article AB to maximize wind power extraction, a variable-speed wind turbine (VSWT) should operate as close as possible to its optimal power coefficient. The generator torque is used as a control input to improve wind energy capture by forcing the wind turbine (WT) to stay close to the maximum energy point. In general, current control techniques do not take into account the dynamical and stochastic aspect of both turbine and wind, leading to significant power losses. In addition, they are not robust with respect to disturbances. In order to address these weaknesses, a nonlinear approach, without wind speed measurement for VSWT control, is proposed. Nonlinear static and dynamic state feedback controllers with wind speed estimator are then derived. The controllers were tested with a WT simple mathematical model and are validated with an aeroelastic wind turbine simulator in the presence of disturbances and measurement noise. The results have shown better performance in comparison with existing controllers. C1 Supelec, Dept Automat Control, F-91192 Gif Sur Yvette, France. Natl Wind Technol Ctr, Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Boukhezzar, B (reprint author), Supelec, Dept Automat Control, F-91192 Gif Sur Yvette, France. EM boubekeur.boukhezzar@greyc.ensicaen.fr; houria.siguerdidjane@supelec.fr NR 25 TC 65 Z9 75 U1 0 U2 12 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0199-6231 J9 J SOL ENERG-T ASME JI J. Sol. Energy Eng. Trans.-ASME PD NOV PY 2006 VL 128 IS 4 BP 516 EP 530 DI 10.1115/1.2356496 PG 15 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA 105SE UT WOS:000242051800012 ER PT J AU Mori, K Kiyanagi, R Yonemura, M Iwase, K Sato, T Itoh, K Sugiyama, M Kamiyama, T Fukunaga, T AF Mori, Kazuhiro Kiyanagi, Ryoji Yonemura, Masao Iwase, Kenji Sato, Takashi Itoh, Keiji Sugiyama, Masaaki Kamiyama, Takashi Fukunaga, Toshiharu TI Charge states of Ca atoms in beta-dicalcium silicate SO JOURNAL OF SOLID STATE CHEMISTRY LA English DT Article DE beta-Ca2SiO4; crystal structure; short-range structure; neutron powder diffraction; radial distribution function; Rietveld analysis; bond valence sum ID POWDER DIFFRACTION DATA; CRYSTAL-STRUCTURE REFINEMENTS; ELASTIC NEUTRON-SCATTERING; BOND-VALENCE PARAMETERS; TRICALCIUM SILICATE; X-RAY; HYDRATION; POLYMORPHS; CEMENT; SYNCHROTRON AB In order to study the crystal structure of beta-Ca2SiO4, time-of-flight neutron powder diffraction experiments were carried out at temperatures between room temperature (RT) and 600 degrees C. Rietveld refinement at RT has shown that beta-Ca2SiO4 is monoclinic based on P2(1)/n symmetry and two different types of Ca sites, Ca(1) and Ca(2). All interatomic distances within 3 angstrom were calculated, with the valences of Ca(1) with seven Ca-O bonds and Ca(2) with eight were estimated to be 1.87+ and 2+ by the Zachariasen-Brown-Altermatt formula (bond valence sum). Applying charge neutrality the two charge states of Ca in beta-Ca2SiO4 are [Ca(1)SiO4](2-) and Ca(2)(2+), respectively. Furthermore, the [Ca(1)SiO4](2-) unit has the shortest Ca-O distance, and its length kept constant at 2.23 angstrom at all temperatures. In the short-range structure analysis at RT, the shortest Ca-O bond was also observed in a radial distribution function. These results imply that the [Ca(1)SiO4](2-) unit has covalency on the shortest Ca-O in addition to Si-O. (c) 2006 Elsevier Inc. All rights reserved. C1 Kyoto Univ, Res Reactor Inst, Osaka 5900494, Japan. Argonne Natl Lab, Intense Pulsed Neutron Source Div, Argonne, IL 60439 USA. Ibaraki Univ, Grad Sch Engn & Sci, Inst Appl Beam Sci, Hitachi, Ibaraki 3168511, Japan. Grad Univ Adv Studies, Dept Mat Struct Sci, Tsukuba, Ibaraki 3050801, Japan. High Energy Accelerator Res Org, Inst Mat Struct Sci, Tsukuba, Ibaraki 3050801, Japan. Kyoto Univ, Dept Engn Phys & Mech, Kyoto 6068501, Japan. RP Mori, K (reprint author), Kyoto Univ, Res Reactor Inst, Osaka 5900494, Japan. EM kmori@rri.kyoto-u.ac.jp NR 28 TC 11 Z9 12 U1 5 U2 11 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0022-4596 J9 J SOLID STATE CHEM JI J. Solid State Chem. PD NOV PY 2006 VL 179 IS 11 BP 3286 EP 3294 DI 10.1016/j.jssc.2006.06.018 PG 9 WC Chemistry, Inorganic & Nuclear; Chemistry, Physical SC Chemistry GA 088IK UT WOS:000240805200004 ER PT J AU Cookson, D Kirby, N Knott, R Lee, M Schultz, D AF Cookson, David Kirby, Nigel Knott, Robert Lee, Myungae Schultz, David TI Strategies for data collection and calibration with a pinhole-geometry SAXS instrument on a synchrotron beamline SO JOURNAL OF SYNCHROTRON RADIATION LA English DT Article DE small-angle X-ray scattering; wide-angle X-ray scattering ID ANGLE X-RAY; ADVANCED PHOTON SOURCE; SCATTERING; POLYPROPYLENE; STANDARD AB Undulator X-ray sources on third- generation synchrotrons have pushed small-angle X-ray scattering (SAXS) to the forefront of techniques in nanoscience and technology. With higher X-ray fluxes and improved focusing, it is usually the scattered intensity detector that places the most serious limitations on the overall capabilities of the instrument. Incorporating relatively simple components like point detectors, scattering standards, masking filters and in-line sample visualization into the flight tube of a pinhole- geometry SAXS camera can do much to mitigate these limitations. How these enhancements can be incorporated into routine data collection is demonstrated on the ChemMat-CARS SAXS instrument, which utilizes pinhole geometry with an undulator insertion device at sector 15 of the Advanced Photon Source. In addition, with an X-ray energy range of 6 - 32 keV (2.0 - 0.4 angstrom) and an energy resolution of 10(-4) Delta E/E, this instrument can measure anomalous SAXS over a wide variety of atom species, with reliable normalization of scattered data. C1 Argonne Natl Lab, Adv Photon Source, ChemMatCARS, Argonne, IL 60439 USA. Australian Nucl Sci & Technol Org, Australian Synchrotron Res Program, Argonne, IL 60439 USA. Australian Synchrotron, Clayton, Vic, Australia. Australian Nucl Sci & Technol Org, Menai, NSW 2234, Australia. RP Cookson, D (reprint author), Argonne Natl Lab, Adv Photon Source, ChemMatCARS, Argonne, IL 60439 USA. EM cookson@cars.uchicago.edu NR 9 TC 71 Z9 71 U1 0 U2 7 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0909-0495 J9 J SYNCHROTRON RADIAT JI J. Synchrot. Radiat. PD NOV PY 2006 VL 13 BP 440 EP 444 DI 10.1107/S0909049506030184 PN 6 PG 5 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA 096FP UT WOS:000241363300006 PM 17057319 ER PT J AU Bu, W Ryan, PJ Vaknin, D AF Bu, Wei Ryan, Philip J. Vaknin, David TI Ion distributions at charged aqueous surfaces by near-resonance X-ray spectroscopy SO JOURNAL OF SYNCHROTRON RADIATION LA English DT Article DE XAFS of Cs in aqueous environment; f ' and f '' anomalous terms for Cs ions; electrostatics in aqueous solutions; charged membranes; interfacial Possion-Boltzmann theory ID ARACHIDIC ACID MONOLAYERS; ABSORPTION SPECTROSCOPY; ANOMALOUS SCATTERING; AIR/WATER INTERFACE; REFLECTION; CESIUM; ADSORPTION; COMPLEXES; XAFS AB Near-resonance X-ray spectroscopy is used to determine ion distributions and their local environment at charged aqueous interfaces. Energy scans at fixed momentum-transfers under specular reflectivity conditions near the L-III Cs+ resonance reveal the formation of a diffuse Gouy - Chapman layer at a charged surface formed by a Langmuir monolayer ( dihexadecyl phosphate) spread on CsI solution. The energy scans exhibit a periodic dependence on photon momentum-transfer (Q(z)) with a line-shape that consists of a Q(z)-dependent linear combination of the dispersive f'(E) and absorptive f ''(E) fine-structure corrections. The results in the Born approximation are discussed and more quantitatively by using the dynamical method numerically (i.e. recursive or matrix methods to calculate the reflection of electromagnetic waves from stratified media). The ion distributions obtained from the analysis of the spectroscopy are in excellent agreement with those obtained from anomalous reflectivity measurements, providing further confirmation to the validity of the renormalized surface-charge Poisson - Boltzmann theory for monovalent ions. The fine structures of f'(E) and f ''(E) obtained in the process differ significantly from the multi-electron photoexcitation spectra of the isolated ion, revealing the local environment of a Cs+ ion in the solution at the interface. The comparison with similar X-ray absorption fine structures suggests that the Cs+ ion is surrounded by a shell of eight O atoms. C1 Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. RP Vaknin, D (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. EM vaknin@ameslab.gov RI Vaknin, David/B-3302-2009; Bu, Wei/Q-1390-2016 OI Vaknin, David/0000-0002-0899-9248; Bu, Wei/0000-0002-9996-3733 NR 30 TC 10 Z9 10 U1 0 U2 7 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 1600-5775 J9 J SYNCHROTRON RADIAT JI J. Synchrot. Radiat. PD NOV PY 2006 VL 13 BP 459 EP 463 DI 10.1107/S0909049506038635 PN 6 PG 5 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA 096FP UT WOS:000241363300009 PM 17057322 ER PT J AU Swift, GW Geller, DA AF Swift, G. W. Geller, D. A. TI Continuous thermoacoustic mixture separation SO JOURNAL OF THE ACOUSTICAL SOCIETY OF AMERICA LA English DT Article ID FLOW AB The superposition of nonzero time-averaged mole flux N on a thermoacoustic wave in a binary gas mixture in a tube produces continuous mixture separation, in which one or more partially purified product streams are created from a feedstock stream. Significant product and feedstock flows occur through capillaries that are small enough to experience negligible thermoacoustic phenomena of their own. Experiments with a 50-50 helium-argon mixture show diverse consequences of nonzero flow, involving the addition of only one simple term n(H)N to the equation for the heavy component's time-averaged mole flux, where n(H) is the mole fraction of the heavy component. A boundary condition for nH must be imposed on the equation wherever products flow out of the separation tube, but not where feedstock flows in. (c) 2006 Acoustical Society of America. C1 Los Alamos Natl Lab, Condensed Matter & Thermal Phys Grp, Los Alamos, NM 87545 USA. RP Swift, GW (reprint author), Los Alamos Natl Lab, Condensed Matter & Thermal Phys Grp, MS K764, Los Alamos, NM 87545 USA. OI Geller, Drew/0000-0001-8046-8495 NR 18 TC 6 Z9 7 U1 0 U2 2 PU ACOUSTICAL SOC AMER AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 0001-4966 J9 J ACOUST SOC AM JI J. Acoust. Soc. Am. PD NOV PY 2006 VL 120 IS 5 BP 2648 EP 2657 DI 10.1121/1.2346129 PN 1 PG 10 WC Acoustics; Audiology & Speech-Language Pathology SC Acoustics; Audiology & Speech-Language Pathology GA 104CO UT WOS:000241933800021 ER PT J AU Lee, DW Cheng, MD AF Lee, Doh-Won Cheng, Meng-Dawn TI Particle generation by ultraviolet-laser ablation during surface decontamination SO JOURNAL OF THE AIR & WASTE MANAGEMENT ASSOCIATION LA English DT Article ID AERODYNAMIC DIAMETER MEASUREMENTS; DENSITY CHARACTERIZATION; COMBINED MOBILITY; NANOSECOND LASER; NANOPARTICLE; MORPHOLOGY; THRESHOLD; FILMS AB A novel photonic decontamination method was developed for removal of pollutants from material surfaces. Such a method relies on the ability of a high-energy laser beam to ablate materials from a contaminated surface layer, thus producing airborne particles. In this paper, the authors presented the results obtained using a scanning mobility particle sizer (SMPS) system and an aerosol particle sizer (APS). Particles generated by laser ablation from the surfaces of cement, chromium-embedded cement, and alumina were experimentally investigated. Broad particle distributions from nanometer to micrometer in size were measured. For stainless steel, virtually no particle > 500 nm in aerodynamic size was detected. The generated particle number concentrations of all three of the materials were increased as the 266-nm laser fluence (millijoules per square centimeter) increased. Among the three materials tested, cement was found to be the most favorable for particle removal, alumina next, and stainless steel the least. Chromium (dropped in cement) showed almost no effects on particle production. For all of the materials tested except for. stainless steel, bimodal size distributions were observed; a smaller mode peaked at similar to 50-70 nm was detected by SMPS and a larger mode (peaked at similar to 0.70-0.85 mu m) by APS. Based on transmission electron microscopy observations, the authors concluded that particles in the range of 50-70 nm were aggregates of primary particles, and those of size larger than a few hundred nanometers were produced by different mechanisms, for, example, massive object ejection from the material surfaces. C1 Oak Ridge Natl Lab, Div Environm Sci, Atmospher & Aerosol Sci Grp, Oak Ridge, TN 37831 USA. RP Lee, DW (reprint author), Oak Ridge Natl Lab, Div Environm Sci, Atmospher & Aerosol Sci Grp, 1 Bethel Valley Rd,Bldg 1505,MS 6038, Oak Ridge, TN 37831 USA. EM chengmd@ornl.gov RI Cheng, Meng-Dawn/C-1098-2012; OI Cheng, Meng-Dawn/0000-0003-1407-9576 NR 24 TC 3 Z9 3 U1 0 U2 4 PU AIR & WASTE MANAGEMENT ASSOC PI PITTSBURGH PA ONE GATEWAY CENTER, THIRD FL, PITTSBURGH, PA 15222 USA SN 1047-3289 J9 J AIR WASTE MANAGE JI J. Air Waste Manage. Assoc. PD NOV PY 2006 VL 56 IS 11 BP 1591 EP 1598 PG 8 WC Engineering, Environmental; Environmental Sciences; Meteorology & Atmospheric Sciences SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 102BD UT WOS:000241784800011 PM 17117745 ER PT J AU Juliano, TF Gogotsi, YG Buchheit, TE Watson, CS Kalinin, SV Shin, J Baddorf, AP AF Juliano, Thomas F. Gogotsi, Yury G. Buchheit, Thomas E. Watson, Chad S. Kalinin, Sergei V. Shin, Junsoo Baddorf, Arthur P. TI Detection of indentation induced FE-to-AFE phase transformation in lead zirconate titanate SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID CERAMICS; SEMICONDUCTORS AB Instrumented indentation was combined with microscopy and spectroscopy analysis to investigate the local mechanically induced ferroelectric to anti-ferroelectric phase transformation of niobium-modified lead zirconate titanate 95/5. Indentation experiments to a depth of 2 mu m were performed using a Berkovich pyramidal three-sided diamond tip. Subsequent Raman spectroscopy and piezoelectric force microscopy revealed that indentation locally induced the ferroelectric to antiferroelectric phase transformation. Piezoelectric force microscopy demonstrated the ability to map the individual phases within and near indented regions on the niobium-modified lead zirconate titanate ceramics. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Buchheit, TE (reprint author), Sandia Natl Labs, Albuquerque, NM 87185 USA. EM tebuchh@sandia.gov RI Gogotsi, Yury/B-2167-2008; Kalinin, Sergei/I-9096-2012; Baddorf, Arthur/I-1308-2016 OI Gogotsi, Yury/0000-0001-9423-4032; Kalinin, Sergei/0000-0001-5354-6152; Baddorf, Arthur/0000-0001-7023-2382 NR 15 TC 3 Z9 3 U1 1 U2 8 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0002-7820 J9 J AM CERAM SOC JI J. Am. Ceram. Soc. PD NOV PY 2006 VL 89 IS 11 BP 3557 EP 3559 DI 10.1111/j.1551-2916.2006.01255.x PG 3 WC Materials Science, Ceramics SC Materials Science GA 096WX UT WOS:000241408600041 ER PT J AU Haynes, JA Zemskova, SM Lin, HT Ferber, MK Westphal, W AF Haynes, J. A. Zemskova, S. M. Lin, H. T. Ferber, M. K. Westphal, W. TI Characterization of chemical vapor-deposited (CVD) mullite plus CVD alumina plus plasma-sprayed tantalum oxide coatings on silicon nitride vanes after an industrial gas turbine engine field test SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID HIGH-TEMPERATURE; OXIDATION; CERAMICS AB Silicon nitride ceramic vanes coated with chemical vapor-deposited (CVD) mullite, CVD alumina, and plasma-sprayed tantalum oxide were exposed to field tests in an industrial gas turbine engine. Results varied due to expected non-uniformities in the CVD coating microstructures, but dense CVD mullite/alumina showed excellent stability and protective capacity after 1148 h of engine testing. Surfaces without CVD coatings experienced massive intragranular subsurface oxidation and/or rapid recession of the ceramic substrate due to volatilization of silica species formed by oxidation. These results suggest that thin (< 5 mu m), dense, high-purity CVD mullite and CVD alumina are viable components for an environmental barrier coating system to protect structural ceramics in combustion environments. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Rolls Royce Allison, Indianapolis, IN 46206 USA. RP Haynes, JA (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM haynesa@ornl.gov NR 19 TC 1 Z9 1 U1 2 U2 9 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0002-7820 J9 J AM CERAM SOC JI J. Am. Ceram. Soc. PD NOV PY 2006 VL 89 IS 11 BP 3560 EP 3563 DI 10.1111/j.1551-2916.2006.01256.x PG 4 WC Materials Science, Ceramics SC Materials Science GA 096WX UT WOS:000241408600042 ER PT J AU Pojprapai, S Jones, JL Hoffman, M AF Pojprapai (Imlao), Soodkhet Jones, Jacob L. Hoffman, Mark TI Domain switching under cyclic mechanical loading in lead zirconate titanate SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID SITU NEUTRON-DIFFRACTION; CERAMICS; TEXTURE; DIFFRACTOMETER; FRACTURE; HIPPO; PZT AB The domain-switching behavior of lead zirconate titanate (PZT) during mechanical cyclic loading between 10 and 150 MPa was investigated by in situ time-of-flight neutron diffraction. The domain-switching behavior was represented by a change of the pole density distribution during cycling. With increasing number of cycles, domain switching becomes saturated, correlating with a decrease in the rate of remnant strain accumulation in the stress-strain curve. Moreover, a relationship was demonstrated between the macroscopic strain and that developed from ferroelastic domain switching. The contribution of ferroelastic strain to the macroscopic strain was calculated from an orientation average of the domain switching distributions and the c/a ratio. The results show that nearly 80% of macroscopic strain arises from ferroelastic domain switching during mechanical cyclic loading. C1 Univ New S Wales, Sydney, NSW 2052, Australia. Los Alamos Natl Lab, Los Alamos Neutron Scattering Ctr, Los Alamos, NM 87545 USA. RP Pojprapai, S (reprint author), Univ New S Wales, Sydney, NSW 2052, Australia. EM soodkhet@student.unsw.edu.au RI Jones, Jacob/A-8361-2008; Hoffman, Mark/E-5021-2012; OI Hoffman, Mark/0000-0003-2927-1165; Vogel, Sven C./0000-0003-2049-0361 NR 16 TC 11 Z9 11 U1 0 U2 4 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0002-7820 J9 J AM CERAM SOC JI J. Am. Ceram. Soc. PD NOV PY 2006 VL 89 IS 11 BP 3567 EP 3569 DI 10.1111/j.1551-2916.2006.01260.x PG 3 WC Materials Science, Ceramics SC Materials Science GA 096WX UT WOS:000241408600044 ER PT J AU Xiong, YJ Shi, L Chen, BW Mayer, MU Lower, BH Londer, Y Bose, S Hochella, MF Fredrickson, JK Squier, TC AF Xiong, Yijia Shi, Liang Chen, Baowei Mayer, M. Uljana Lower, Brian H. Londer, Yuri Bose, Saumyaditya Hochella, Michael F. Fredrickson, James K. Squier, Thomas C. TI High-affinity binding and direct electron transfer to solid metals by the Shewanella oneidensis MR-1 outer membrane c-type cytochrome OmcA SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID FLUORESCENCE CORRELATION SPECTROSCOPY; MINIATURE BIOFUEL CELL; MICROBIAL FUEL-CELL; PHYSIOLOGICAL CONDITIONS; ELECTRICITY PRODUCTION; CHROMATE REDUCTION; PROTEIN; MANGANESE; GROWTH C1 Pacific NW Natl Lab, Div Biol Sci, Biogeochem Grand Challenge Program, Richland, WA 99352 USA. Pacific NW Natl Lab, Environm Mol Sci Lab, Biogeochem Grand Challenge Program, Richland, WA 99352 USA. RP Squier, TC (reprint author), Pacific NW Natl Lab, Div Biol Sci, Biogeochem Grand Challenge Program, Richland, WA 99352 USA. EM thomas.squier@pnl.gov RI Xiong, Yijia/C-1341-2011 NR 32 TC 127 Z9 132 U1 10 U2 62 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD NOV 1 PY 2006 VL 128 IS 43 BP 13978 EP 13979 DI 10.1021/ja063526d PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 098KO UT WOS:000241519600004 PM 17061851 ER PT J AU Sivula, K Luscombe, CK Thompson, BC Frechet, JMJ AF Sivula, Kevin Luscombe, Christine K. Thompson, Barry C. Frechet, Jean M. J. TI Enhancing the thermal stability of polythiophene: Fullerene solar cells by decreasing effective polymer regioregularity SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID MOLECULAR-WEIGHT; BULK HETEROJUNCTION; POLY(3-HEXYLTHIOPHENE); MORPHOLOGY; PERFORMANCE; TRANSPORT; MOBILITY C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Frechet, JMJ (reprint author), Univ Calif Berkeley, Dept Chem, 718 Latimer Hall, Berkeley, CA 94720 USA. EM frechet@berkeley.edu RI sivula, kevin/I-2250-2013; OI Luscombe, Christine/0000-0001-7456-1343; Sivula, Kevin/0000-0002-8458-0270; Frechet, Jean /0000-0001-6419-0163 NR 19 TC 162 Z9 166 U1 2 U2 41 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD NOV 1 PY 2006 VL 128 IS 43 BP 13988 EP 13989 DI 10.1021/ja064434r PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 098KO UT WOS:000241519600009 PM 17061856 ER PT J AU Maye, MM Nykypanchuk, D van der Lelie, D Gang, O AF Maye, Mathew M. Nykypanchuk, Dmytro van der Lelie, Daniel Gang, Oleg TI A simple method for kinetic control of DNA-induced nanoparticle assembly SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID MODIFIED GOLD NANOPARTICLES; OPTICAL-PROPERTIES; NANOSTRUCTURES; ARRAYS C1 Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Gang, O (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. EM ogang@bnl.gov NR 21 TC 84 Z9 85 U1 5 U2 44 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD NOV 1 PY 2006 VL 128 IS 43 BP 14020 EP 14021 DI 10.1021/ja0654229 PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 098KO UT WOS:000241519600025 PM 17061872 ER PT J AU Liu, L Engelhard, MH Yan, MD AF Liu, Li Engelhard, Mark H. Yan, Mingdi TI Surface and interface control on photochemically initiated immobilization SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID SELF-ASSEMBLED MONOLAYERS; PLASMON RESONANCE; POLYMER-FILMS; COVALENT IMMOBILIZATION; PHASE-BEHAVIOR; FABRICATION; PROTEINS; GOLD; ADSORPTION; STRATEGY AB Surface and interface properties are important in controlling the yield and efficiency of the photochemically initiated immobilization. Using a silane-functionalized perfluorophenyl azide (PFPA-silane) as the photoactive cross-linker, the immobilization of polymers was studied by adjusting the density of the surface azido groups. Dilution of the photolinker resulted in a gradual decrease in the density of surface azido groups as well as the thickness of the immobilized film. When a nonphotoactive silane was added to PFPA-silane, the film thickness decreased more rapidly, suggesting that the additive competed with PFPA-silane and effectively reduced the density of the surface azido groups. The effect of surface topography was studied by adding a nonphotoactive silane with either a shorter (n-propyltrimethoxysilane (PTMS)) or a longer spacer (n-octadecyltrimethoxysilane (ODTMS)). In most cases the long chain ODTMS shielded the surface azido groups, resulting in a more rapid decrease in film thickness as compared to PTMS treated under the same conditions. As the density of the surface azido groups decreased, the immobilized polymer changed from smooth films to patched structures and, eventually, single polymer molecules. C1 Portland State Univ, Dept Chem, Portland, OR 97207 USA. Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Yan, MD (reprint author), Portland State Univ, Dept Chem, POB 751, Portland, OR 97207 USA. EM yanm@pdx.edu RI Engelhard, Mark/F-1317-2010; Liu, Li/G-5393-2012; OI Liu, Li/0000-0003-3269-8741; Engelhard, Mark/0000-0002-5543-0812 FU NIGMS NIH HHS [1R15 GM 066279-01A2, R15 GM066279, R15 GM066279-01A2] NR 29 TC 34 Z9 34 U1 0 U2 14 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD NOV 1 PY 2006 VL 128 IS 43 BP 14067 EP 14072 DI 10.1021/ja0628021 PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA 098KO UT WOS:000241519600042 PM 17061889 ER PT J AU Marchand, R Beagley, N Thompson, SE Ackerman, TP Schultz, DM AF Marchand, Roger Beagley, Nathaniel Thompson, Sandra E. Ackerman, Thomas P. Schultz, David M. TI A bootstrap technique for testing the relationship between local-scale radar observations of cloud occurrence and large-scale atmospheric fields SO JOURNAL OF THE ATMOSPHERIC SCIENCES LA English DT Article ID SPATIAL SYNOPTIC CLASSIFICATION; GENERAL-CIRCULATION MODELS; TROPICAL WESTERN PACIFIC; ROCKY-MOUNTAINS; COLD SURGES; REGIONAL CLIMATES; REGIMES; PARAMETERIZATION; PATTERNS; FRONT AB A classification scheme is created to map the synoptic-scale (large scale) atmospheric state to distributions of local-scale cloud properties. This mapping is accomplished by a neural network that classifies 17 months of synoptic-scale initial conditions from the rapid update cycle forecast model into 25 different states. The corresponding data from a vertically pointing millimeter-wavelength cloud radar (from the Atmospheric Radiation Measurement Program Southern Great Plains site at Lamont, Oklahoma) are sorted into these 25 states, producing vertical profiles of cloud occurrence. The temporal stability and distinctiveness of these 25 profiles are analyzed using a bootstrap resampling technique. A stable-state-based mapping from synoptic-scale model fields to local-scale cloud properties could be useful in three ways. First, such a mapping may improve the understanding of differences in cloud properties between output from global climate models and observations by providing a physical context. Second, this mapping could be used to identify the cause of errors in the modeled distribution of clouds-whether the cause is a difference in state occurrence (the type of synoptic activity) or the misrepresentation of clouds for a particular state. Third, robust mappings could form the basis of a new statistical cloud parameterization. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Univ Oklahoma, Cooperat Inst Mesoscale Meteorol Studies, Norman, OK 73019 USA. NOAA, Natl Severe Storms Lab, Norman, OK 73069 USA. RP Marchand, R (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. EM roj@pnl.gov RI Schultz, David M./A-3091-2010 OI Schultz, David M./0000-0003-1558-6975 NR 35 TC 13 Z9 13 U1 0 U2 2 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0022-4928 J9 J ATMOS SCI JI J. Atmos. Sci. PD NOV PY 2006 VL 63 IS 11 BP 2813 EP 2830 DI 10.1175/JAS3772.1 PG 18 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 111HT UT WOS:000242442700008 ER PT J AU Jeffery, CA Reisner, JM AF Jeffery, Christopher A. Reisner, Jon M. TI A study of cloud mixing and evolution using PDF methods. Part I: Cloud front propagation and evaporation SO JOURNAL OF THE ATMOSPHERIC SCIENCES LA English DT Article ID ENVIRONMENT INTERFACE; DENSITY-FUNCTIONS; LIQUID WATER; SIMPLE-MODEL; TURBULENCE; ENTRAINMENT; CONDENSATION; CUMULUS; SHEAR; STRATOCUMULUS AB The evolution of mean relative humidity (RH) is studied in an isobaric system of clear and cloudy air mixed by an incompressible velocity field. A constant droplet radius assumption is employed that implies a simple dependence of the mixing time scale, tau(eddy), and the reaction (evaporation) time scale, tau(react), on the specifics of the droplet size spectrum. A dilemma is found in the RH e-folding time, tau(efold), predicted by two common microphysical schemes: models that resolve supersaturation and ignore subgrid correlations, which gives tau(efold) similar to tau(efold) and PDF schemes that assume instantaneous evaporation and predict tau(efold) - tau(eddy). The resolution of this dilemma, Magnussen and Hjertager's eddy dissipation concept (EDC) model tau(efold) max(tau(eddy), tau(react)), is revealed in the results of 1D eddy diffusivity simulations and a new probability density function (PDF) approach to cloud mixing and evolution in which evaporation is explicitly resolved and the shape of the PDF is not specified a priori. The EDC model is shown to exactly solve the nonturbulent problem of spurious production of cloud-edge supersaturations described by Stevens et al. and produce good results in the more general turbulent case. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Jeffery, CA (reprint author), Los Alamos Natl Lab, ISR-2,POB 1663,Mail Stop D-436, Los Alamos, NM 87545 USA. EM cjeffery@lanl.gov NR 37 TC 17 Z9 17 U1 0 U2 0 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0022-4928 J9 J ATMOS SCI JI J. Atmos. Sci. PD NOV PY 2006 VL 63 IS 11 BP 2848 EP 2864 DI 10.1175/JAS3760.1 PG 17 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 111HT UT WOS:000242442700010 ER PT J AU Birgeneau, RJ Stock, C Tranquada, JM Yamada, K AF Birgeneau, Robert J. Stock, Chris Tranquada, John M. Yamada, Kazuyoshi TI Magnetic neutron scattering in hole-doped cuprate superconductors SO JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN LA English DT Review DE superconductivitiy; neutron scattering; cuprates; low-dimensional magnets ID HIGH-TEMPERATURE SUPERCONDUCTOR; COPPER-OXIDE SUPERCONDUCTORS; STATIC ANTIFERROMAGNETIC CORRELATIONS; DYNAMIC SPIN CORRELATIONS; T-C; TRANSITION-TEMPERATURE; PHASE-SEPARATION; SINGLE-CRYSTALS; GLASS PHASE; EXCITATIONS AB A review is presented of the static and dynamic magnetic properties of hole-doped cuprate superconductors measured with neutron scattering. A wide variety of experiments are described with emphasis on the monolayer La2-x(Sr,Ba)(x)CuO4 and bilayer YBa2Cu3O6+x cuprates. At zero hole doping, both classes of materials are antiferromagnetic insulators with large superexchange constants of J > 100meV. For increasing hole doping, the cuprates become superconducting at a critical hole concentration of x(c) = 0.055. The development of new instrumentation at neutron beam sources coupled with the improvement in materials has lead to a better understanding of these materials and the underlying spin dynamics over a broad range of hole dopings. We will describe how the spin dispersion changes across the insulating to superconducting boundary as well as the static magnetic properties which are directly coupled with the superconductivity. Experiments probing the competing magnetic and superconducting order parameters involving magnetic fields, impurity doping, and structural order will be examined. Correlations between superconductivity and magnetism will also be discussed. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94729 USA. Johns Hopkins Univ, Dept Phys, Baltimore, MD 21218 USA. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. Tohoku Univ, Inst Mat Res, Sendai, Miyagi 9808577, Japan. RP Birgeneau, RJ (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94729 USA. RI Tranquada, John/A-9832-2009; Yamada, Kazuyoshi/C-2728-2009 OI Tranquada, John/0000-0003-4984-8857; NR 102 TC 101 Z9 103 U1 2 U2 19 PU PHYSICAL SOC JAPAN PI TOKYO PA YUSHIMA URBAN BUILDING 5F, 2-31-22 YUSHIMA, BUNKYO-KU, TOKYO, 113-0034, JAPAN SN 0031-9015 J9 J PHYS SOC JPN JI J. Phys. Soc. Jpn. PD NOV PY 2006 VL 75 IS 11 AR 111003 DI 10.1143/JPSJ.75.111003 PG 12 WC Physics, Multidisciplinary SC Physics GA 107ZT UT WOS:000242210200004 ER PT J AU Blume, M Gibbs, D Hill, J AF Blume, Martin Gibbs, Doon Hill, John TI Gen Shirane's legacy in polarized beam scattering: From neutrons to x-rays SO JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN LA English DT Article DE x-ray magnetic scattering; neutron scattering; polarization ID MAGNETIC SCATTERING; EXCHANGE SCATTERING; CIRCULAR-DICHROISM; ELECTRONIC STATES; SINGLE-CRYSTAL; CROSS-SECTION; STRIPE ORDER; DIFFRACTION; RESONANCE; CUGEO3 AB We pay tribute to Gen Shirane's legacy by summarizing the results of x-ray magnetic scattering studies of a series of interesting materials, including chromium, NiO, MnF2, rare earth boro-carbides, cuprates, and NdNiO3 thin films. We focus on what may be learned through the use of polarization-dependent x-ray techniques, both elastic and inelastic, and compare that with the results of neutron scattering. C1 Amer Phys Soc, Ridge, NY 11961 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. RP Blume, M (reprint author), Amer Phys Soc, Ridge, NY 11961 USA. NR 63 TC 1 Z9 1 U1 2 U2 8 PU PHYSICAL SOC JAPAN PI TOKYO PA YUSHIMA URBAN BUILDING 5F, 2-31-22 YUSHIMA, BUNKYO-KU, TOKYO, 113-0034, JAPAN SN 0031-9015 J9 J PHYS SOC JPN JI J. Phys. Soc. Jpn. PD NOV PY 2006 VL 75 IS 11 AR 111005 DI 10.1143/JPSJ.75.111005 PG 9 WC Physics, Multidisciplinary SC Physics GA 107ZT UT WOS:000242210200006 ER PT J AU Cowley, RA Shapiro, SM AF Cowley, R. A. Shapiro, S. M. TI Structural phase transitions SO JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN LA English DT Article DE phase transitions; neutron scattering; ferroelectricity; antiferroelectricity; central peaks; two-time scales; two-length scales ID INELASTIC-NEUTRON-SCATTERING; 2 LENGTH SCALES; TETRACYANOQUINODIMETHANE TTF-TCNQ; 110 DEGREES K; X-RAY-SCATTERING; SOFT PHONON MODES; SHORT-RANGE ORDER; CRITICAL FLUCTUATIONS; HG3-DELTA ASF6; CENTRAL-PEAK AB Gen Shirane began studying ferroelectrics while he was still based in Japan in the early 1950's. It was therefore natural that when he arrived at Brookhaven and began specialising in neutron scattering that he would devote much of his energy and expertise studying structural phase transitions. We review the ground breaking experiments that showed the behaviour of antiferroelectrics and ferroelectries were reasonably described in terms of the soft mode concept of structural phase transitions. This work lead directly to Gen being awarded the Buckley prize and, jointly with John Axe, awarded the Warren prize. We then describe his work on incommensurate phase transitions and in particular how the giant Kohn anomalies are responsible for the structural instabilities in one-dimensional metals. Finally Gen carefully investigated the central peak and the two-length scale phenomena that occur at most if not all transitions. Due to Gen's elegant experimental work we know a great deal about both of these effects but in neither case is theory able to explain all of his results. C1 Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 3PU, England. Brookhaven Natl Lab, Condensed Matter Phys Mat Sci Dept, Upton, NY 11973 USA. RP Cowley, RA (reprint author), Univ Oxford, Dept Phys, Clarendon Lab, Pk Rd, Oxford OX1 3PU, England. RI Shapiro, Stephen/D-6747-2013 NR 91 TC 8 Z9 8 U1 2 U2 22 PU PHYSICAL SOC JAPAN PI TOKYO PA YUSHIMA URBAN BUILDING 5F, 2-31-22 YUSHIMA, BUNKYO-KU, TOKYO, 113-0034, JAPAN SN 0031-9015 J9 J PHYS SOC JPN JI J. Phys. Soc. Jpn. PD NOV PY 2006 VL 75 IS 11 AR 111001 DI 10.1143/JPSJ.75.111001 PG 15 WC Physics, Multidisciplinary SC Physics GA 107ZT UT WOS:000242210200002 ER PT J AU Hirota, K Wakimoto, S Cox, DE AF Hirota, Kazuma Wakimoto, Shuichi Cox, David E. TI Neutron and x-ray scattering studies of relaxors SO JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN LA English DT Review DE relaxor; neutron scattering; X-ray diffraction; morphotropic phase boundary; soft mode; polar nanoregion ID MORPHOTROPIC PHASE-BOUNDARY; SINGLE-CRYSTALS; LEAD ZIRCONATE; FERROELECTRIC PHASE; PIEZOELECTRIC PROPERTIES; POLARIZATION ROTATION; DIELECTRIC-PROPERTIES; COMPLEX PEROVSKITES; PHONON INSTABILITY; LATTICE-DYNAMICS AB The extensive and wide-ranging neutron and x-ray scattering studies of relaxors carried out by Gen Shirane and his collaborators are reviewed. Among the many results they have reported in some 50 scientific papers published since 1999, there are three especially notable accomplishments; namely, the discovery of a monoclinic phase near the morphotropic phase boundary, the clarification of the existence and roles of transverse optic soft-mode phonons, and detailed studies of polar nanoregions particularly by diffuse scattering techniques. We will focus mostly on the above topics, and discuss the impact of these on the research and understanding of relaxors. C1 Univ Tokyo, Inst Solid State Phys, Kashiwa, Chiba 2778581, Japan. Japan Atom Energy Agcy, Quantum Beam Sci Directorate, Tokai, Ibaraki 3191195, Japan. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Hirota, K (reprint author), Univ Tokyo, Inst Solid State Phys, Kashiwa, Chiba 2778581, Japan. RI Hirota, Kazuma/C-6797-2008 NR 140 TC 53 Z9 53 U1 6 U2 38 PU PHYSICAL SOC JAPAN PI TOKYO PA YUSHIMA URBAN BUILDING 5F, 2-31-22 YUSHIMA, BUNKYO-KU, TOKYO, 113-0034, JAPAN SN 0031-9015 J9 J PHYS SOC JPN JI J. Phys. Soc. Jpn. PD NOV PY 2006 VL 75 IS 11 AR 111006 DI 10.1143/JPSJ.75.111006 PG 13 WC Physics, Multidisciplinary SC Physics GA 107ZT UT WOS:000242210200007 ER PT J AU Jagannadham, K Watkins, TR Lance, MJ AF Jagannadham, K. Watkins, T. R. Lance, M. J. TI Interfacial characterization and residual stress analysis in diamond films on LiNbO3 SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A LA English DT Article ID LITHIUM-NIOBATE; NIOBIUM OXIDE; THIN-FILMS; GROWTH; LAYERS AB Diamond films were deposited via microwave plasma chemical vapor deposition on lithium niobate (LN) substrates. Characterization of the interfacial regions formed between diamond films and LN substrates was carried out by several techniques. Secondary ion mass spectroscopy (SIMS) was used to determine the depth profiles of carbon, lithium, niobium, and oxygen in the LN substrate covered with diamond nuclei and in the substrate without nucleation. Results indicate that the diamond nuclei promoted growth of diamond, and in addition, a reduced depth of the lithium deficient zone formed in the LN substrate was observed. Grazing incidence x-ray diffraction and transmission electron microscopy observations corroborated the results obtained by SIMS. Residual stresses determined experimentally by an x-ray method or by the shift in the characteristic diamond peak in Raman spectroscopy were much smaller than the calculated thermal residual stresses. The results further emphasize that the interfacial phases are responsible for relieving the thermal stresses generated during cooling of the layered structure. The thickness of the interfacial region was found to be well below for attenuation of the surface acoustic waves in the gigahertz frequency surface acoustic wave devices. (c) 2006 American Vacuum Society. C1 N Carolina State Univ, Dept Mat Sci & Engn, Raleigh, NC 27695 USA. Oak Ridge Natl Lab, High Temp Mat Lab, Oak Ridge, TN 37831 USA. RP Jagannadham, K (reprint author), N Carolina State Univ, Dept Mat Sci & Engn, Raleigh, NC 27695 USA. EM jag_kasichainula@ncsu.edu RI Jagannadham, Kasichainula/A-2953-2008; Watkins, Thomas/D-8750-2016; Lance, Michael/I-8417-2016 OI Watkins, Thomas/0000-0002-2646-1329; Lance, Michael/0000-0001-5167-5452 NR 21 TC 2 Z9 2 U1 2 U2 13 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 0734-2101 EI 1520-8559 J9 J VAC SCI TECHNOL A JI J. Vac. Sci. Technol. A PD NOV-DEC PY 2006 VL 24 IS 6 BP 2105 EP 2112 DI 10.1116/1.2356479 PG 8 WC Materials Science, Coatings & Films; Physics, Applied SC Materials Science; Physics GA 111WA UT WOS:000242484900020 ER PT J AU Goldberg, KA Barty, A Liu, YW Kearney, P Tezuka, Y Terasawa, T Taylor, JS Han, HS Wood, OR AF Goldberg, Kenneth A. Barty, Anton Liu, Yanwei Kearney, Patrick Tezuka, Yoshihiro Terasawa, Tsuneo Taylor, John S. Han, Hak-Seung Wood, Obert R., II TI Actinic inspection of extreme ultraviolet programed multilayer defects and cross-comparison measurements SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B LA English DT Article; Proceedings Paper CT 50th International Conference on Electron, Ion, and Photon Beam Technology and Nanofavrication CY MAY 30-JUN 02, 2006 CL Baltimore, MD SP AVS, IEEE Electron Device Soc, Opt Soc Amer ID LITHOGRAPHY MASK DEFECTS; LOCALIZED DEFECTS; BLANKS AB The production of defect-free mask blanks remains a key challenge for extreme ultraviolet (EUV) lithography. Integral to this effort is the development and characterization of mask inspection tools that are sensitive enough to detect critical defects with high confidence. Using a single programed-defect mask with a range of buried bump-type defects, the authors report a comparison of measurements made in four different mask inspection tools: one commercial tool using 488 nm wavelength illumination, one prototype tool that uses 266 nm illumination, and two noncommercial EUV "actinic" inspection tools. The EUV tools include a dark field imaging microscope and a scanning microscope. Their measurements show improving sensitivity with the shorter wavelength non-EUV tool, down to 33 nm spherical-equivalent-volume diameter, for defects of this type. Measurements conditions were unique to each tool, with the EUV tools operating at a much slower inspection rate. Several defects observed with EUV inspection were below the detection threshold of the non-EUV tools. (c) 2006 American Vacuum Society. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. SEMATECH, Albany, NY 12203 USA. Assoc Super Adv Elect Technol, MIRAI, Tsukuba, Ibaraki 3058569, Japan. RP Goldberg, KA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM kagoldberg@lbl.gov RI Barty, Anton/K-5137-2014 OI Barty, Anton/0000-0003-4751-2727 NR 12 TC 47 Z9 47 U1 1 U2 9 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 1071-1023 J9 J VAC SCI TECHNOL B JI J. Vac. Sci. Technol. B PD NOV-DEC PY 2006 VL 24 IS 6 SI SI BP 2824 EP 2828 DI 10.1116/1.2375085 PG 5 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Applied SC Engineering; Science & Technology - Other Topics; Physics GA 123VO UT WOS:000243324400058 ER PT J AU Lu, M Tennant, DM Jacobsen, CJ AF Lu, M. Tennant, D. M. Jacobsen, C. J. TI Orientation dependence of linewidth variation in sub-50-nm Gaussian e-beam lithography and its correction SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B LA English DT Article; Proceedings Paper CT 50th International Conference on Electron, Ion, and Photon Beam Technology and Nanofavrication CY MAY 30-JUN 02, 2006 CL Baltimore, MD SP AVS, IEEE Electron Device Soc, Opt Soc Amer ID DIGITAL PATTERN GENERATOR; ZONE PLATES; FABRICATION; PRIMITIVES; SYSTEM AB The width of tilted line patterns, such as are needed when drawing circular structures, is found to vary with the oblique angle when it falls into the sub-50-nm scale in Gaussian e-beam lithography. The authors' analysis shows that this orientation dependence of linewidth variation originates from the nonuniformity of discrete primitive filling in Cartesian coordinates. Two correction schemes based on pattern segmentation are proposed. Test exposures of high resolution zone plate patterns show that both two schemes work well; a double-insert scheme is superior in terms of dose distribution uniformity. (c) 2006 American Vacuum Society. C1 SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. Lucent Technol, Bell Labs, Murray Hill, NJ 07974 USA. RP Lu, M (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. EM mlu@xray1.physics.sunysb.edu RI Jacobsen, Chris/E-2827-2015 OI Jacobsen, Chris/0000-0001-8562-0353 NR 16 TC 8 Z9 8 U1 0 U2 1 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 1071-1023 J9 J VAC SCI TECHNOL B JI J. Vac. Sci. Technol. B PD NOV-DEC PY 2006 VL 24 IS 6 SI SI BP 2881 EP 2885 DI 10.1116/1.2393292 PG 5 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Applied SC Engineering; Science & Technology - Other Topics; Physics GA 123VO UT WOS:000243324400070 ER PT J AU Maldonado, JR Liu, Z Sun, Y Pianetta, PA Pease, FW AF Maldonado, Juan R. Liu, Zhi Sun, Yun Pianetta, Piero A. Pease, Fabian W. TI Photoelectron emission studies in CsBr at 257 nm SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B LA English DT Article; Proceedings Paper CT 50th International Conference on Electron, Ion, and Photon Beam Technology and Nanofavrication CY MAY 30-JUN 02, 2006 CL Baltimore, MD SP AVS, IEEE Electron Device Soc, Opt Soc Amer ID PHOTOCATHODE; CRYSTALS AB CsBr/Cr photocathodes were found [J. R. Maldonado et al., J. Vac. Sci. Technol. B 22, 3025 (2004); J. R. Maldonado et al., Proc. SPIE 5520, 46 (2003)] to meet the requirements of a multielectron beam lithography system operating with a light energy of 4.8 eV (257 nm). The fact that photoemission was observed With a light energy below the reported 7.3 eV band gap for CsBr was not understood. This article presents experimental results on the presence of intra-band-gap absorption sites (IBASs) in CsBr thin film photoelectron emitters, and presents a model based on IBAS to explain the observed photoelectron emission behavior at energies below band gap. A fluorescence band centered at 330 nm with a full width at half maximum of about 0.34 eV was observed in CsBr/Cr samples under 257 nm laser illumination, which can be attributed to IBAS and agrees well with previously obtained synchrotron photoelectron spectra [J. R. Maldonado et al., J. Vac. Sci. Tecimol. B 22, 3025 (2004)] from the valence band of CsBr films. (c) 2006 American Vacuum Society. C1 Stanford Univ, Dept Elect Engn, Stanford, CA 94305 USA. Stanford Synchrotron Radiat Lab, Menlo Pk, CA 95025 USA. RP Maldonado, JR (reprint author), SSRL SSLAC, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA. RI Liu, Zhi/B-3642-2009 OI Liu, Zhi/0000-0002-8973-6561 NR 5 TC 13 Z9 13 U1 0 U2 6 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 1071-1023 J9 J VAC SCI TECHNOL B JI J. Vac. Sci. Technol. B PD NOV-DEC PY 2006 VL 24 IS 6 SI SI BP 2886 EP 2891 DI 10.1116/1.2363410 PG 6 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Applied SC Engineering; Science & Technology - Other Topics; Physics GA 123VO UT WOS:000243324400071 ER PT J AU Babin, S Gaevski, M Joy, D Machin, M Martynov, A AF Babin, S. Gaevski, M. Joy, D. Machin, M. Martynov, A. TI Technique to automatically measure electron-beam diameter and astigmatism: BEAMETR SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B LA English DT Article; Proceedings Paper CT 50th International Conference on Electron, Ion, and Photon Beam Technology and Nanofavrication CY MAY 30-JUN 02, 2006 CL Baltimore, MD SP AVS, IEEE Electron Device Soc, Opt Soc Amer AB Accuracy and resolution of scanning electron microscopy and an electron-beam lithography system directly depend on beam diameter; it should be monitored and tuned frequently. A technique is described to determine beam size using an automatic procedure. In the developed method, a specially designed and fabricated test pattern is scanned using an e-beam. A spectrum of the signal is analyzed; beam diameter is automatically determined using a software program. Results of design, fabrication, and analysis of the beam calibration test pattern are presented. (c) 2006 American Vacuum Society. C1 Abeam Technol, Castro Valley, CA 94546 USA. Univ S Carolina, Columbia, SC 29208 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Univ Tennessee, EM Facil, Knoxville, TN 37996 USA. RP Babin, S (reprint author), Abeam Technol, 5286 Dunnigan Ct, Castro Valley, CA 94546 USA. EM sb@abeamtech.com NR 6 TC 15 Z9 15 U1 1 U2 6 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 1071-1023 J9 J VAC SCI TECHNOL B JI J. Vac. Sci. Technol. B PD NOV-DEC PY 2006 VL 24 IS 6 SI SI BP 2956 EP 2959 DI 10.1116/1.2387158 PG 4 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Applied SC Engineering; Science & Technology - Other Topics; Physics GA 123VO UT WOS:000243324400085 ER PT J AU Miller, MA Poppe, WJ Neureuther, AR Liddle, A Harteneck, B AF Miller, Marshal A. Poppe, Wojtek J. Neureuther, Andrew R. Liddle, Alex Harteneck, Bruce TI Pattern noise in electron beam resists: PMMA, KRS-XE, TOK, HSQ SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B LA English DT Article; Proceedings Paper CT 50th International Conference on Electron, Ion, and Photon Beam Technology and Nanofavrication CY MAY 30-JUN 02, 2006 CL Baltimore, MD SP AVS, IEEE Electron Device Soc, Opt Soc Amer ID LINE EDGE ROUGHNESS; SHOT-NOISE; EXPOSURE AB The variation in the printing of nominally identical contacts with electron-beam exposure is used to quantitatively determine the statistical variation in chemically amplified resists (KRS-XE with and without top coat, TOK) and non-chemically-amplified resists (PMMA and HSQ). Uniform 17 X 23 arrays of 24 and 32 nm contacts were exposed at fixed doses with a 100 keV electron beam. By looking at data observed from top view scanning electron microscopy images, a normal distribution was fitted to the fraction of contacts that printed versus dose to determine the standard deviation of the distribution relative to the dose at which 50% of the contacts printed. The top coat on KRS-XE increased contact uniformity and reduced the required dose. Quantitative analysis shows that PMMA contained as much noise as the chemically amplified resist systems, KRS-XE and TOK. Except HSQ, this normalized standard deviation ranged from 0.16 to 0.21 which is indicative that the contact hole printing process may be dominated by less than 40 events. HSQ exhibited lower standard deviation values, corresponding to over 1000 effective events. (c) 2006 American Vacuum Society. C1 Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Miller, MA (reprint author), Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. EM mamillr@eecs.berkeley.edu RI Liddle, James/A-4867-2013 OI Liddle, James/0000-0002-2508-7910 NR 12 TC 1 Z9 1 U1 0 U2 1 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 1071-1023 J9 J VAC SCI TECHNOL B JI J. Vac. Sci. Technol. B PD NOV-DEC PY 2006 VL 24 IS 6 SI SI BP 3025 EP 3030 DI 10.1116/1.2393248 PG 6 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Applied SC Engineering; Science & Technology - Other Topics; Physics GA 123VO UT WOS:000243324400100 ER PT J AU Olynick, DL Liddle, JA Tivanski, AV Gilles, MK Tyliszczak, T Salmassi, F Liang, K Leone, SR AF Olynick, Deirdre L. Liddle, J. Alexander Tivanski, Alexei V. Gilles, Mary K. Tyliszczak, Tolek Salmassi, Farhad Liang, Kathy Leone, Stephen R. TI Scanning x-ray microscopy investigations into the electron-beam exposure mechanism of hydrogen silsesquioxane resists SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B LA English DT Article; Proceedings Paper CT 50th International Conference on Electron, Ion, and Photon Beam Technology and Nanofavrication CY MAY 30-JUN 02, 2006 CL Baltimore, MD SP AVS, IEEE Electron Device Soc, Opt Soc Amer ID BILAYER RESIST; ATOMIC-HYDROGEN; LITHOGRAPHY; HSQ; PERFORMANCE; FABRICATION; LINEWIDTH; FILMS AB Electron-beam exposed hydrogen silsesquioxane cross-linking chemistry is investigated by scanning transmission x-ray microscopy (STXM) and atomic force microscopy (AFM). Using STXM, a maximum in the chemical contrast is obtained by measuring, the x-ray absorption at 535.4 eV, corresponding to the 1s K-edge transition in oxygen. An area-dependent and dose-dependent chemical conversion is observed for feature sizes between 150 nm and 10 mu m and doses between 0.4 and 40 mC/cm(2). The activated (cross-linked) regions extend beyond the exposure zones, especially for higher dosed exposures. With AFM, thickness changes in the latent images (e-beam exposed but undeveloped) are observed, which also display a dependence on exposed area. Potential mechanisms, involving chemical diffusion outside the exposure zone, are discussed. (c) 2006 American Vacuum Society. C1 Lawrence Berkeley Lab, Mol Foundry, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Chem Sci Div, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. RP Olynick, DL (reprint author), Lawrence Berkeley Lab, Mol Foundry, Mail Stop 67-2206,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM dlolynick@lbl.gov RI Liddle, James/A-4867-2013 OI Liddle, James/0000-0002-2508-7910 NR 26 TC 8 Z9 8 U1 0 U2 4 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 1071-1023 J9 J VAC SCI TECHNOL B JI J. Vac. Sci. Technol. B PD NOV-DEC PY 2006 VL 24 IS 6 SI SI BP 3048 EP 3054 DI 10.1116/1.2395957 PG 7 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Applied SC Engineering; Science & Technology - Other Topics; Physics GA 123VO UT WOS:000243324400104 ER PT J AU Ocola, LE Stein, A AF Ocola, L. E. Stein, A. TI Effect of cold development on improvement in electron-beam nanopatterning resolution and line roughness SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B LA English DT Article; Proceedings Paper CT 50th International Conference on Electron, Ion, and Photon Beam Technology and Nanofavrication CY MAY 30-JUN 02, 2006 CL Baltimore, MD SP AVS, IEEE Electron Device Soc, Opt Soc Amer ID LITHOGRAPHY; RESIST; POLY(METHYLMETHACRYLATE); SIMULATION; POLYMERS AB This article presents the results about the effect, of cold development on the improvement in patterning resolution and line edge roughness for electron-beam lithography resists. Cold development shows improved resolution and contrast for resists that are exposed by polymer chain scission. It does not work for chemically amplified resists. A discussion on why this works for resists like ZEP 520 and PMMA and not for positive chemically amplified resists (such as UV113) is presented. Results for 13 nm structures obtained after metal liftoff using a 30 W e-beam tool using ZEP 520 resist are shown. These results have impact in the photomask industry and other manufacturers that require squeezing out as much resolution out of their existing tools and materials. It is found that, even with the improvement by cold development, there is a "shot noise" of 2% uncertainty limit that is not surpassed for resists exposed at 100 kV. This explains why high throughput and high resolution electron-beam nanolithography is not possible. (c) 2006 American Vacuum Society. C1 Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. Brookhaven Natl Lab, Ctr Funct NanoMat, Upton, NY 11973 USA. RP Ocola, LE (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. EM ocola@aps.anl.gov NR 11 TC 60 Z9 60 U1 2 U2 19 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 1071-1023 J9 J VAC SCI TECHNOL B JI J. Vac. Sci. Technol. B PD NOV-DEC PY 2006 VL 24 IS 6 SI SI BP 3061 EP 3065 DI 10.1116/1.2366698 PG 5 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Applied SC Engineering; Science & Technology - Other Topics; Physics GA 123VO UT WOS:000243324400106 ER PT J AU Warren, JB Stein, A AF Warren, John B. Stein, Aaron TI Transmission electron microscopy: A linewidth measurement technique for lithography SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B LA English DT Article; Proceedings Paper CT 50th International Conference on Electron, Ion, and Photon Beam Technology and Nanofavrication CY MAY 30-JUN 02, 2006 CL Baltimore, MD SP AVS, IEEE Electron Device Soc, Opt Soc Amer ID RESOLUTION; METROLOGY AB The authors describe preparation methods for patterning high resolution e-beam resists on electron beam transparent samples that facilitate the direct comparison of linewidth measurements from transmission and scanning electron microscopy imaging of the same feature. A goniometer-equipped JEOL 1200EX transmission electron microscope (TEM) with a resolution of 0.45 nm (120 keV) and a JEOL SEM 6500F scanning electron microscope (SEM) with a resolution that varies from 1.5 nm (15 keV) to 5.0 nm (I keV) are used to acquire digital images suitable for linewidth measurements. This comparison emphasizes the differences between TEM images based on mass-absorption contrast and surface topology sensitive SEM images when making linewidth measurements. (c) 2006 American Vacuum Society. C1 Brookhaven Natl Lab, Instrumentat Div, Upton, NY 11973 USA. Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Warren, JB (reprint author), Brookhaven Natl Lab, Instrumentat Div, Upton, NY 11973 USA. EM warren@bnl.gov OI Stein, Aaron/0000-0003-4424-5416 NR 12 TC 1 Z9 1 U1 1 U2 5 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 1071-1023 J9 J VAC SCI TECHNOL B JI J. Vac. Sci. Technol. B PD NOV-DEC PY 2006 VL 24 IS 6 SI SI BP 3077 EP 3082 DI 10.1116/1.2387159 PG 6 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Applied SC Engineering; Science & Technology - Other Topics; Physics GA 123VO UT WOS:000243324400109 ER PT J AU Persaud, A Ivanova, K Sarov, Y Ivanov, T Volland, BE Rangelow, IW Nikolov, N Schenkel, T Djakov, V Jenkins, DWK Meijer, J Vogel, T AF Persaud, A. Ivanova, K. Sarov, Y. Ivanov, Tzv. Volland, B. E. Rangelow, I. W. Nikolov, N. Schenkel, T. Djakov, V. Jenkins, D. W. K. Meijer, J. Vogel, T. TI Micromachined piezoresistive proximal probe with integrated bimorph actuator for aligned single ion implantation SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B LA English DT Article; Proceedings Paper CT 50th International Conference on Electron, Ion, and Photon Beam Technology and Nanofavrication CY MAY 30-JUN 02, 2006 CL Baltimore, MD SP AVS, IEEE Electron Device Soc, Opt Soc Amer ID QUANTUM COMPUTER; PERFORMANCE; ALIGNMENT; SILICON AB The authors report a microfabrication procedure of self-actuated piezoresistive scanning probes (SAPSPs). They are designed for a SAPSP instrument that is integrated with an ion beam for aligned single ion implantation in ultrahigh vacuum. The novelty of the design is an integrated hollow pyramid, instead of a. previously mechanically hand mounted pyramid [J. Vac.. Sci. Technol. B 23, 2798 (2005)]. The pyramid has dual purpose. First it collimates the ion beam and suppresses secondary particles from the back side of the cantilever, so that secondary particles from the target material can be used for single ion detection. Second the pyramid also provides an atomic force microscope tip for the scanning probe. A crucial step in the fabrication is the back side opening via etching for the hollow pyramid. The fabrication procedure will be discussed in detail. (c) 2006 American Vacuum Society. C1 Univ Kassel, Inst Nanostruct Technol & Analyt, D-3500 Kassel, Germany. Tech Univ Ilmenau, D-98684 Ilmenau, Germany. Microsyst Ltd, Varna 9010, Bulgaria. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Persaud, A (reprint author), Univ Kassel, Inst Nanostruct Technol & Analyt, D-3500 Kassel, Germany. EM persaud@uni-kassel.de; ivo.rangelow@tu-ilmenau.de NR 13 TC 5 Z9 5 U1 0 U2 2 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 1071-1023 J9 J VAC SCI TECHNOL B JI J. Vac. Sci. Technol. B PD NOV-DEC PY 2006 VL 24 IS 6 SI SI BP 3148 EP 3151 DI 10.1116/1.2375079 PG 4 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Applied SC Engineering; Science & Technology - Other Topics; Physics GA 123VO UT WOS:000243324400123 ER PT J AU Baas, T Baskin, CR Diamond, DL Garcia-Sastre, A Bielefeldt-Ohmann, H Tumpey, TM Thomas, MJ Carter, VS Teal, TH Van Hoeven, N Proll, S Jacobs, JM Caldwelll, ZR Gritsenko, MA Hukkanen, RR Camp, DG Smith, RD Katze, MG AF Baas, T. Baskin, C. R. Diamond, D. L. Garcia-Sastre, A. Bielefeldt-Ohmann, H. Tumpey, T. M. Thomas, M. J. Carter, V. S. Teal, T. H. Van Hoeven, N. Proll, S. Jacobs, J. M. Caldwelll, Z. R. Gritsenko, M. A. Hukkanen, R. R. Camp, D. G., II Smith, R. D. Katze, M. G. TI Integrated molecular signature of disease: Analysis of influenza virus-infected macaques through functional genomics and proteomics SO JOURNAL OF VIROLOGY LA English DT Article ID ACUTE-RESPIRATORY-SYNDROME; TANDEM MASS-SPECTROMETRY; 1918 PANDEMIC VIRUS; I-RESTRICTED PRESENTATION; MESSENGER-RNA EXPRESSION; A VIRUS; SARS CORONAVIRUS; MICROARRAY DATA; MACACA-FASCICULARIS; PROTEIN EXPRESSION AB Recent outbreaks of avian influenza in humans have stressed the need for an improved nonhuman primate model of influenza pathogenesis. In order to further develop a macaque model, we expanded our previous in vivo genomics experiments with influenza virus-infected macaques by focusing on the innate immune response at day 2 postinoculation and on gene expression in affected lung tissue with viral genetic material present. Finally, we sought to identify signature genes for early infection in whole blood. For these purposes, we infected six pigtailed macaques (Macaca nemestrina) with reconstructed influenza A/Texas/36/91 virus and three control animals with a sham inoculate. We sacrificed one control and two experimental animals at days 2, 4, and 7 postinfection. Lung tissue was harvested for pathology, gene expression profiling, and proteomics. Blood was collected for genomics every other day from each animal until the experimental endpoint. Gross and microscopic pathology, immunohistochemistry, viral gene expression by arrays, and/or quantitative real-time reverse transcription-PCR confirmed successful yet mild infections in all experimental animals. Genomic experiments were performed using macaque-specific oligonucleotide arrays, and high-throughput proteomics revealed the host response to infection at the mRNA and protein levels. Our data showed dramatic differences in gene expression within regions in influenza virus-induced lesions based on the presence or absence of viral mRNA. We also identified genes tightly coregulated in peripheral white blood cells and in lung tissue at day 2 postinoculation. This latter finding opens the possibility of using gene expression arrays on whole blood to detect infection after exposure but prior to onset of symptoms or shedding. C1 Univ Washington, Dept Microbiol, Seattle, WA 98195 USA. Univ Washington, Natl Primate Res Ctr, Seattle, WA 98195 USA. Univ Washington, Dept Comparat Med, Seattle, WA 98195 USA. CUNY Mt Sinai Sch Med, Dept Microbiol, New York, NY 10029 USA. NCID, Influenza Branch, DVRD, Ctr Dis Control & Prevent, Atlanta, GA 30333 USA. Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Baas, T (reprint author), Univ Washington, Dept Microbiol, Box 358070, Seattle, WA 98195 USA. EM traceyb@u.washington.edu RI Bielefeldt-Ohmann, Helle/A-3686-2010; Smith, Richard/J-3664-2012; OI Smith, Richard/0000-0002-2381-2349; Garcia-Sastre, Adolfo/0000-0002-6551-1827 FU NCRR NIH HHS [RR016354, P41 RR018522, R24 RR016354, RR018522]; NIAID NIH HHS [P01 AI058113]; NIDA NIH HHS [1P30DA01562501] NR 85 TC 81 Z9 82 U1 2 U2 5 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0022-538X J9 J VIROL JI J. Virol. PD NOV PY 2006 VL 80 IS 21 BP 10813 EP 10828 DI 10.1128/JVI.00851-06 PG 16 WC Virology SC Virology GA 099OZ UT WOS:000241606100051 PM 16928763 ER PT J AU Ravens, TM Jepsen, RA AF Ravens, Thomas M. Jepsen, Richard A. TI Computational fluid dynamics analysis of flow in a straight flume for sediment erodibility testing SO JOURNAL OF WATERWAY PORT COASTAL AND OCEAN ENGINEERING-ASCE LA English DT Article DE flumes; cohesive sediment; computational fluid dynamics technique; shear strength; shear stress; erosion ID SEA CAROUSEL; EROSION; SCOUR AB Computational fluid dynamics calculations of flow in a straight flume for sediment erodibility testing were conducted. The calculations allowed improved postprocessing of the erosion data collected and better understanding of scour pit formation that is sometimes found in the flume's test section. The flume is a 3-m-long, rectangular (13-cm-wide by 10-cm-high) water conduit, which is placed on the sediment water interface during the sediment transport tests. The flume consists of a 1.6-m inlet section, followed by a 1.1-m test section, where the flowing water contacts the sediment. After erosion has occurred in the test section, the flow enterin from 9 the inlet section is an expanding flow. It generates a circulation cell and nonuniform bottom stress and pressure. Flow calculations were conducted for four different erosion depths (0, 1, 2, and 4 cm) and for two different flow velocities (I and 0.5 m/s). After erosion had occurred, the effective stress in the test section was within 15% of the bottom stress calculated with the Schlichting equation, as long as 9 the increased cross-sectional area was accounted for. C1 Texas A&M Univ, Dept Maritime Syst Engn, Galveston, TX 77553 USA. Sandia Natl Labs, Tech Staff, Albuquerque, NM 87185 USA. RP Ravens, TM (reprint author), Texas A&M Univ, Dept Maritime Syst Engn, POB 1675, Galveston, TX 77553 USA. EM ravenst@tamug.edu; rajepse@sandia.gov NR 18 TC 2 Z9 2 U1 0 U2 1 PU ASCE-AMER SOC CIVIL ENGINEERS PI RESTON PA 1801 ALEXANDER BELL DR, RESTON, VA 20191-4400 USA SN 0733-950X J9 J WATERW PORT C-ASCE JI J. Waterw. Port Coast. Ocean Eng.-ASCE PD NOV-DEC PY 2006 VL 132 IS 6 BP 457 EP 461 DI 10.1061/(ASCE)0733-950X(2006)132:6(457) PG 5 WC Engineering, Civil; Engineering, Ocean; Water Resources SC Engineering; Water Resources GA 099EB UT WOS:000241574200004 ER PT J AU Grinstein, FF AF Grinstein, Fernando Franklin TI Recent progress on monotone integrated large eddy simulation of free jets SO JSME INTERNATIONAL JOURNAL SERIES B-FLUIDS AND THERMAL ENGINEERING LA English DT Article; Proceedings Paper CT International Conference on Jets, Wakes and Separated Flows (ICJWSF 2005) CY OCT 05-08, 2005 CL Toba, JAPAN DE jets; coherent structures; transition; MILES; entrainment; instabilities ID HIGH-REYNOLDS-NUMBER; FREE SQUARE JETS; SHEAR FLOWS; GLOBAL INSTABILITIES; COHERENT STRUCTURES; MIXING LAYERS; DYNAMICS; TURBULENCE; ENTRAINMENT; FEEDBACK AB Large Eddy Simulation (LES) of shear flows driven by Kelvin-Helmholtz instabilities such as mixing layers, wakes, and jets is of great interest because of their crucial role in many practical applications. The Monotone Integrated LES (MILES) approach is motivated here for these studies, and the basic components involved in a typical MILES jet model are described. Examples from MILES jet studies are used to address major aspects of transition to turbulence from laminar conditions at the nozzle exit including, the occurrence of global instabilities, complex three-dimensional vorticity geometries, and their impact on jet entrainment. Quantitative analysis of the small-scale features of the transitioning simulated jets is presented, and convergence issues are addressed in this context. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Grinstein, FF (reprint author), Los Alamos Natl Lab, MS-B259, Los Alamos, NM 87545 USA. EM fgrinstein@lanl.gov NR 43 TC 8 Z9 8 U1 0 U2 1 PU JAPAN SOC MECHANICAL ENGINEERS PI TOKYO PA SHINANOMACHI-RENGAKAN BLDG, SHINANOMACHI 35, SHINJUKU-KU, TOKYO, 160-0016, JAPAN SN 1340-8054 J9 JSME INT J B-FLUID T JI JSME Int. J. Ser. B-Fluids Therm. Eng. PD NOV PY 2006 VL 49 IS 4 SI SI BP 890 EP 898 DI 10.1299/jsmeb.49.890 PG 9 WC Thermodynamics; Engineering, Mechanical SC Thermodynamics; Engineering GA 121UP UT WOS:000243182800003 ER PT J AU Tang, YJ Carpenter, SD Deming, JW Krieger-Brockett, B AF Tang, Yinjie J. Carpenter, Shelly D. Deming, Jody W. Krieger-Brockett, Barbara TI Depth-related influences on biodegradation rates of phenanthrene in polluted marine sediments of Puget Sound, WA SO MARINE POLLUTION BULLETIN LA English DT Article DE microbial biodegradation; sediment depth; micro-aerobic; anaerobic; methanogenesis ID POLYCYCLIC AROMATIC-HYDROCARBONS; SLOW-RELEASE FERTILIZER; OXYGEN RESPIRATION; DEGRADATION; SULFATE; BIOREMEDIATION; SHORELINE; OXIDATION; BACTERIA; NITRATE AB A whole-core injection method was used to determine depth-related rates. of microbial mineralization of C-14-phenanthrene added to both contaminated and clean marine sediments of Puget Sound, WA. For 26-day incubations under micro-aerobic conditions, conversions of C-14-phenanthrene to (CO2)-C-14 in heavily PAH-contaminated sediments from two sites in Eagle Harbor were much higher (up to 30%) than those in clean sediments from nearby Blakely Harbor (< 3%). The averaged C-14-phenanthrene degradation rates in the surface sediment horizons (0-3 cm) were more rapid (2-3 times) than in the deeper sediment horizons examined (> 6 cm), especially in the most PAH polluted EH9 site. Differences in mineralization were associated with properties of the sediments as a function of sediment depth, including grain-size distribution, PAH concentration, total organic matter and total bacterial abundance. When strictly anaerobic incubations (in N-2/H-2/CO2 atmosphere) were used, the phenanthrene biodegradation rates at all sediment depths were two times slower than under micro-aerobic conditions, with methanogenesis observed after 24 days. The main rate-limiting factor for phenanthrene degradation under anaerobic conditions appeared to be the availability of suitable electron acceptors. Addition of calcium sulfate enhanced the first order rate coefficient (k(1) increased from 0.003 to 0.006 day(-1)), whereas addition of soluble nitrate, even at very low concentration (< 0.5 mM), inhibited mineralization. Long-term storage of heavily polluted Eagle Harbor sediment as intact cores under micro-aerobic conditions also appeared to enhance anaerobic biodegradation rates (k(1) up to 0.11 day(-1)). (c) 2006 Elsevier Ltd. All rights reserved. C1 Lawrence Berkeley Natl Lab, Keasling Lab, Div Biophys, Berkeley, CA 94720 USA. Univ Washington, Sch Oceanog, Seattle, WA 98195 USA. Univ Washington, Dept Chem Engn, Seattle, WA 98195 USA. RP Tang, YJ (reprint author), Lawrence Berkeley Natl Lab, Keasling Lab, Div Biophys, 717 Potter St,Bldlg 977 MC 3224, Berkeley, CA 94720 USA. EM yjtang@lbl.gov NR 43 TC 9 Z9 10 U1 0 U2 7 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0025-326X EI 1879-3363 J9 MAR POLLUT BULL JI Mar. Pollut. Bull. PD NOV PY 2006 VL 52 IS 11 BP 1431 EP 1440 DI 10.1016/j.marpolbul.2006.04.009 PG 10 WC Environmental Sciences; Marine & Freshwater Biology SC Environmental Sciences & Ecology; Marine & Freshwater Biology GA 112FW UT WOS:000242512100024 PM 16780896 ER PT J AU Chambers, SA Droubay, TC Wang, CM Rosso, KM Heald, SM SchwartZ, DA Kittilstved, KR Gamelin, DR AF Chambers, S. A. Droubay, T. C. Wang, C. M. Rosso, K. M. Heald, S. M. Schwartz, D. A. Kittilstved, K. R. Gamelin, D. R. TI Ferromagnetism in oxide semiconductors SO MATERIALS TODAY LA English DT Article ID DILUTED MAGNETIC SEMICONDUCTORS; ELECTRONIC-STRUCTURE; ZNO; TRANSITION; INJECTION; EXCHANGE AB Over the past five years, considerable work has been carried out in the exploration of candidate diluted oxide magnetic semiconductors with high Curie temperatures. Fueled by early experimental results and theoretical predictions, claims of ferromagnetism at and above room temperature in doped oxides have abounded. In general, neither the true nature of these materials nor the physical causes of the magnetism have been adequately determined. It is now apparent that these dilute magnetic systems are deceptively complex. We consider two well-characterized n-type magnetically doped oxide semiconductors and explore the relationship between donor electrons and ferromagnetism. C1 Pacific NW Natl Lab, Fundamental Sci Directorate, Richland, WA 99352 USA. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. Univ Washington, Dept Chem, Seattle, WA 98195 USA. RP Chambers, SA (reprint author), Pacific NW Natl Lab, Fundamental Sci Directorate, Richland, WA 99352 USA. EM sa.chambers@pnl.gov RI Kittilstved, Kevin/B-8204-2009; Droubay, Tim/D-5395-2016 OI Droubay, Tim/0000-0002-8821-0322 NR 40 TC 99 Z9 99 U1 1 U2 18 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1369-7021 J9 MATER TODAY JI Mater. Today PD NOV PY 2006 VL 9 IS 11 BP 28 EP 35 DI 10.1016/S1369-7021(06)71692-3 PG 8 WC Materials Science, Multidisciplinary SC Materials Science GA 113TR UT WOS:000242620900012 ER PT J AU Nadiga, BT Taylor, M Lorenz, J AF Nadiga, Balasubramanya T. Taylor, Mark Lorenz, Jens TI Ocean modelling for climate studies: Eliminating short time scales in long-term, high-resolution studies of ocean circulation SO MATHEMATICAL AND COMPUTER MODELLING LA English DT Article DE ocean general circulation models; implicit parallel ocean program; implicit time stepping; Jacobian-free Newton-Krylov iteration ID THERMOHALINE CIRCULATION; NUMERICAL-SIMULATION; NORTH-ATLANTIC; BIFURCATION AB On the decadal to centennial time scale, changes in climate are controlled strongly by changes in ocean circulation. However, because of limitations inherent to the time integration schemes used in present-day ocean models, state-of-the-art climate change simulations resolve the oceans only very coarsely. With an aim to enable long-term simulations of ocean circulation at the high resolutions required for a better representation of global ocean dynamics, we have implemented fully-implicit time integration schemes in a version of the popular ocean general circulation model POP (Parallel Ocean Program), employing Jacobian-free Newton-Krylov techniques. Here, we describe the numerical principles underlying iPOP in some detail and present a few computational results. While there are many advantages to this approach, including a consistent and uniform treatment of the terms in the governing equations, the primary advantage lies in the ability to take time steps that are of relevance to the physical phenomenon that is being studied. The time step is not limited (for stability reasons) by the fastest modes of the system. (c) 2006 Elsevier Ltd. All rights reserved. C1 Univ New Mexico, Dept Math & Stat, Albuquerque, NM 87131 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Lorenz, J (reprint author), Univ New Mexico, Dept Math & Stat, Albuquerque, NM 87131 USA. EM balu@lanl.gov; mataylo@sandia.gov; lorenz@math.unm.edu NR 27 TC 8 Z9 8 U1 0 U2 2 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0895-7177 J9 MATH COMPUT MODEL JI Math. Comput. Model. PD NOV PY 2006 VL 44 IS 9-10 BP 870 EP 886 DI 10.1016/j.mcm.2006.02.021 PG 17 WC Computer Science, Interdisciplinary Applications; Computer Science, Software Engineering; Mathematics, Applied SC Computer Science; Mathematics GA 084UJ UT WOS:000240559600008 ER PT J AU Paez, TL AF Paez, Thomas L. TI The history of random vibrations through 1958 SO MECHANICAL SYSTEMS AND SIGNAL PROCESSING LA English DT Article ID BROWNIAN-MOTION AB Interest in the analysis of random vibrations of mechanical systems started to grow about a half century ago in response to the need for a theory that could accurately predict structural response to jet engine noise and missile launch-induced environments. However, the work that enabled development of the theory of random vibrations started about a half century earlier. This paper discusses contributions to the theory of random vibrations from the time of Einstein to the time of an MIT workshop that was organized by Crandall in 1958. (c) 2006 Elsevier Ltd. All rights reserved. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Paez, TL (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM tlpaez@sandia.gov NR 82 TC 8 Z9 9 U1 0 U2 6 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0888-3270 J9 MECH SYST SIGNAL PR JI Mech. Syst. Signal Proc. PD NOV PY 2006 VL 20 IS 8 BP 1783 EP 1818 DI 10.1016/j.ymssp.2006.07.001 PG 36 WC Engineering, Mechanical SC Engineering GA 084SZ UT WOS:000240556000001 ER PT J AU Lew, TL Spencer, AB Scarpa, F Worden, K Rutherford, A Hemez, F AF Lew, T. L. Spencer, A. B. Scarpa, F. Worden, K. Rutherford, A. Hemez, F. TI Identification of response surface models using genetic programming SO MECHANICAL SYSTEMS AND SIGNAL PROCESSING LA English DT Article DE surrogate/replacement model; response surface models; symbolic regression; genetic programming AB There is a move in modern research in Structural Dynamics towards analysing the inherent uncertainty in a given problem. This may be quantifying or fusing uncertainty models, or can be propagation of uncertainty through a system or calculation. If the system of interest is represented by, e.g. a large Finite Element (FE) model the large number of computations involved can rule out many approaches due to the expense of carrying out many runs. One way of circumnavigating this problem is to replace the true system by an approximate surrogate/replacement model, which is fast-running compared to the original. In traditional approaches using response surfaces a simple least-squares multinomial model is often adopted. The objective of this paper is to extend the class of possible models considerably by carrying out a general symbolic regression using a Genetic Programming approach. The approach is demonstrated on both univariate and multivariate problems with both computational and experimental data. (c) 2005 Elsevier Ltd. All rights reserved. C1 Univ Sheffield, Dept Mech Engn, Dynam Res Grp, Sheffield S1 3JD, S Yorkshire, England. Los Alamos Natl Lab, Weapon Resonse Grp, Los Alamos, NM USA. RP Lew, TL (reprint author), Univ Sheffield, Dept Mech Engn, Dynam Res Grp, Mappin St, Sheffield S1 3JD, S Yorkshire, England. EM t.l.lew@Sheffield.ac.uk RI Scarpa, Fabrizio/B-9465-2008; OI Scarpa, Fabrizio/0000-0002-5470-4834; Hemez, Francois/0000-0002-5319-4078 NR 15 TC 16 Z9 16 U1 0 U2 2 PU ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0888-3270 J9 MECH SYST SIGNAL PR JI Mech. Syst. Signal Proc. PD NOV PY 2006 VL 20 IS 8 BP 1819 EP 1831 DI 10.1016/j.ymssp.2005.12.003 PG 13 WC Engineering, Mechanical SC Engineering GA 084SZ UT WOS:000240556000002 ER PT J AU Liu, S Trivedi, R AF Liu, Shan Trivedi, Rohit TI Effect of thermosolutal convection on microstructure formation in the Pb-Bi peritectic system SO METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE LA English DT Article ID DIRECTIONAL SOLIDIFICATION; ALLOYS; SELECTION; GROWTH; EVOLUTION; REGIMES; PHASE; MODEL AB Experimental studies have been conducted in the two-phase region of the Pb-Bi peritectic system to investigate the effect of thermosolutal convection on the banded microstructure. A systematic study is carried out by varying convection effects through the use of thin cylindrical samples of different diameters. A strong oscillatory convection is found in a 6.0-mm-diameter sample that produces a large treelike primary phase in the center of the sample that is surrounded by the peritectic phase matrix. The length of the treelike structure is found to decrease as the diameter of a sample is reduced to 0.8 mm. When the sample diameter is further reduced to 0.4 mm, laminar flow is present that gives rise to discrete bands of the two phases. The banded microstructure, however, is found to be transient and only the peritectic phase forms after a few bands. Composition variations in the banded structure are measured to determine the nucleation undercoolings for both phases and to characterize the banding cycle. The banding cycle is determined by the nucleation undercoolings and is independent of convection in the melt, but the banding window closely depends on convection. The presence of the transient banding process is analyzed by using a boundary layer model, and the number of transient bands is found to agree with the model for samples of different compositions and lengths. C1 US DOE, Ames Lab, Mat & Engn Phys Program, Ames, IA 50011 USA. Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. RP Liu, S (reprint author), US DOE, Ames Lab, Mat & Engn Phys Program, Ames, IA 50011 USA. EM shanliu@ameslab.gov NR 32 TC 21 Z9 25 U1 1 U2 4 PU MINERALS METALS MATERIALS SOC PI WARRENDALE PA 184 THORN HILL RD, WARRENDALE, PA 15086 USA SN 1073-5623 J9 METALL MATER TRANS A JI Metall. Mater. Trans. A-Phys. Metall. Mater. Sci. PD NOV PY 2006 VL 37A IS 11 BP 3293 EP 3304 DI 10.1007/BF02586164 PG 12 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 100YN UT WOS:000241706200014 ER PT J AU Park, JS Shin, H Hong, KS Jung, HS Lee, JK Rhee, KY AF Park, Jong-Sung Shin, Hyunho Hong, Kug Sun Jung, Hyun Suk Lee, Jung-Kun Rhee, Kyong-Yop TI Effect of margin widths on the residual stress in a multi-layer ceramic capacitor SO MICROELECTRONIC ENGINEERING LA English DT Article DE residual stress; MLCC margin; dielectric properties ID NI-MLCCS; ELECTRODE AB The influence of margin widths on the evolution of residual stress components in a multilayer ceramic capacitor has been investigated numerically by systematically varying the widths of the housing and lateral margins. As for the in-plane residual stress components (compressive), sigma(11) is much relieved by the housing margin which exists along the length (axis 1) direction, while sigma(22) is much relieved by the lateral margin which exists along the width (axis 2) direction. The out-of-plane stress component sigma(33) (tensile) increases via both the housing and lateral margins within the range of the critical width (about 150 mu m), beyond which sigma(33) is not markedly influenced by the widths of margins. (c) 2006 Elsevier B.V. All rights reserved. C1 Kangnung Natl Univ, Dept Ceram Engn, Seoul 210702, South Korea. Seoul Natl Univ, Sch Mat Sci & Engn, Seoul 151744, South Korea. Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. Kyung Hee Univ, Sch Mech & Ind Syst Engn, Yongin 449701, South Korea. RP Shin, H (reprint author), Kangnung Natl Univ, Dept Ceram Engn, Seoul 210702, South Korea. EM hshin@kangnung.ac.kr RI Jung, Hyun Suk/D-4745-2011; Jung, Hyun Suk/H-3659-2015; OI Jung, Hyun Suk/0000-0002-7803-6930 NR 10 TC 6 Z9 6 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-9317 J9 MICROELECTRON ENG JI Microelectron. Eng. PD NOV-DEC PY 2006 VL 83 IS 11-12 BP 2558 EP 2563 DI 10.1016/j.mee.2006.06.008 PG 6 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Optics; Physics, Applied SC Engineering; Science & Technology - Other Topics; Optics; Physics GA 123SK UT WOS:000243315700097 ER PT J AU Quinlan, KGR Nardini, M Verger, A Francescato, P Yaswen, P Corda, D Bolognesi, M Crossley, M AF Quinlan, Kate G. R. Nardini, Marco Verger, Alexis Francescato, Pierangelo Yaswen, Paul Corda, Daniela Bolognesi, Martino Crossley, Merlin TI Specific recognition of ZNF217 and other zinc finger proteins at a surface groove of C-terminal binding proteins SO MOLECULAR AND CELLULAR BIOLOGY LA English DT Article ID TRANSCRIPTIONAL COREPRESSOR CTBP; MAMMARY EPITHELIAL-CELLS; GENE-EXPRESSION; E-CADHERIN; PR DOMAIN; REPRESSION; PROGRAM; CLONING; FAMILY; IMMORTALIZATION AB Numerous transcription factors recruit C-terminal binding protein (CtBP) corepressors. We show that the large zinc finger protein ZNF217 contacts CtBP. ZNF217 is encoded by an oncogene frequently amplified in tumors. ZNF217 contains a typical Pro-X-Asp-Leu-Ser (PXDLS) motif that binds in CtBP's PXDLS-binding cleft. However, ZNF217 also contains a second motif, Arg-Arg-Thr (RRT), that binds a separate surface on CtBP. The crystal structure of CtBP bound to an RRTGAPPAL peptide shows that it contacts a surface crevice distinct from the PXDLS binding cleft. Interestingly, both PXDLS and RRT motifs are also found in other zinc finger proteins, such as RIZ. Finally, we show that ZNF217 represses several promoters, including one from a known CtBP target gene, and mutations preventing ZNF217's contact with CtBP reduce repression. These results identify a new CtBP interaction motif and establish ZNF217 as a transcriptional repressor protein that functions, at least in part, by associating with CtBP. C1 Univ Sydney, Sch Mol & Microbial Biosci, Sydney, NSW 2006, Australia. Univ Milan, Dept Biomol Sci & Biotechnol, I-20131 Milan, Italy. Univ Milan, CNR, INFM, I-20131 Milan, Italy. Univ Milan, Dept Ind & Organ Chem, I-20131 Milan, Italy. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. Consorzio Mario Negri Sud, Dept Cell Biol & Oncol, I-66030 Santa Maria Imbaro, Italy. RP Crossley, M (reprint author), Univ Sydney, Sch Mol & Microbial Biosci, G08, Sydney, NSW 2006, Australia. EM m.crossley@mmb.usyd.edu.au RI Crossley, Merlin/D-7888-2011; Corda, Daniela/K-6385-2016; Nardini, Marco/B-7842-2017; Bolognesi, Martino/B-7924-2017; OI Crossley, Merlin/0000-0003-2057-3642; Corda, Daniela/0000-0002-3614-751X; Nardini, Marco/0000-0002-3718-2165; Bolognesi, Martino/0000-0002-9253-5170; verger, alexis/0000-0002-0299-2344 FU NHLBI NIH HHS [HL073443, R01 HL073443]; Telethon [GGP030295] NR 49 TC 48 Z9 55 U1 1 U2 4 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0270-7306 J9 MOL CELL BIOL JI Mol. Cell. Biol. PD NOV PY 2006 VL 26 IS 21 BP 8159 EP 8172 DI 10.1128/MCB.00680-06 PG 14 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 097QF UT WOS:000241462400030 PM 16940172 ER PT J AU Sadekar, S Raymond, J Blankenship, RE AF Sadekar, Sumedha Raymond, Jason Blankenship, Robert E. TI Conservation of distantly related membrane proteins: Photosynthetic reaction centers share a common structural core SO MOLECULAR BIOLOGY AND EVOLUTION LA English DT Article DE photosynthesis; evolution; reaction center; protein structure ID OXYGENIC PHOTOSYNTHESIS; PHOTOSYSTEM-I; SEQUENCE ALIGNMENTS; EARLY EVOLUTION; ORIGIN; DATABASE; CLASSIFICATION; POLYPEPTIDE; FAMILIES; BACTERIA AB Photosynthesis was established on Earth more than 3 billion years ago. All available evidences suggest that the earliest photosynthetic organisms were anoxygenic and that oxygen-evolving photosynthesis is a more recent development. The reaction center complexes that form the heart of the energy storage process are integral membrane pigment proteins that span the membrane in vectorial fashion to carry out electron transfer. The origin and extent of distribution of these proteins has been perplexing from a phylogenetic point of view mostly because of extreme sequence divergence. A series of integral membrane proteins of known structure and varying degrees of sequence identity have been compared using combinatorial extension-Monte Carlo methods. The proteins include photosynthetic reaction centers from proteobacteria and cyanobacterial photosystems I and II, as well as cytochrome oxidase, bacteriorhodopsin, and cytochrome b. The reaction center complexes show a remarkable conservation of the core structure of 5 transmembrane helices, strongly implying common ancestry, even though the residual sequence identity is less than 10%, whereas the other proteins have structures that are unrelated. A relationship of sequence with structure was derived from the reaction center structures; with characteristic decay length of 1.6 angstrom. Phylogenetic trees derived from the structural alignments give insights into the earliest photosynthetic reaction center, strongly suggesting that it was a homodimeric complex that did not evolve oxygen. C1 Arizona State Univ, Computat Biosci Program, Tempe, AZ 85287 USA. Lawrence Livermore Natl Lab, Biosci Directorate, Microbial Syst Div, Livermore, CA USA. Washington Univ, Dept Biol, St Louis, MO 63130 USA. Washington Univ, Dept Chem, St Louis, MO 63130 USA. RP Sadekar, S (reprint author), Arizona State Univ, Computat Biosci Program, Tempe, AZ 85287 USA. EM blankenship@wustl.edu NR 39 TC 57 Z9 61 U1 0 U2 12 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0737-4038 J9 MOL BIOL EVOL JI Mol. Biol. Evol. PD NOV PY 2006 VL 23 IS 11 BP 2001 EP 2007 DI 10.1093/molbev/msl079 PG 7 WC Biochemistry & Molecular Biology; Evolutionary Biology; Genetics & Heredity SC Biochemistry & Molecular Biology; Evolutionary Biology; Genetics & Heredity GA 092KF UT WOS:000241094700003 PM 16887904 ER PT J AU Nosenko, T Lidie, KL Van Dolah, FM Lindquist, E Cheng, JF Bhattacharya, D AF Nosenko, Tetyana Lidie, Kristy L. Van Dolah, Frances M. Lindquist, Erika Cheng, Jan-Fang Bhattacharya, Debashish CA US Dept Energy Joint Genome Inst TI Chimeric plastid proteome in the florida "red tide" dinoflagellate Karenia brevis SO MOLECULAR BIOLOGY AND EVOLUTION LA English DT Article DE endosymbiosis; endosymbiotic gene transfer; Karenia brevis; proteome; red tide ID LATERAL GENE-TRANSFER; PHOTOSYNTHETIC EUKARYOTES; MAXIMUM-LIKELIHOOD; NUCLEAR GENOMES; EVOLUTION; PHYLOGENY; SEQUENCE; ORIGIN; ALGAE; CYANOBACTERIA AB Current understanding of the plastid proteome comes almost exclusively from studies of plants and red algae. The proteome in these taxa has a relatively simple origin via integration of proteins from a single cyanobacterial primary endosymbiont and the host. However, the most successful algae in marine environments are the chlorophyll c-containing chromalveolates such as diatoms and dinoflagellates that contain a plastid of red algal origin derived via secondary or tertiary endosymbiosis. Virtually nothing is known about the plastid proteome in these taxa. We analyzed expressed sequence tag data from the toxic "Florida red tide" dinoflagellate Karenia brevis that has undergone a tertiary plastid endosymbiosis. Comparative analyses identified 30 nuclear-encoded plastid-targeted proteins in this chromalveolate that originated via endosymbiotic or horizontal gene transfer (HGT) from multiple different sources. We identify a fundamental divide between plant/red algal and chromalveolate plastid proteomes that reflects a history of mixotrophy in the latter group resulting in a highly chimeric proteome. Loss of phagocytosis in the "red" and "green" clades effectively froze their proteomes, whereas chromalveolate lineages retain the ability to engulf prey allowing them to continually recruit new, potentially adaptive genes through subsequent endosymbioses and HGT. One of these genes is an electron transfer protein (plastocyanin) of green algal origin in K. brevis that likely allows this species to thrive under conditions of iron depletion. C1 Univ Iowa, Dept Biol Sci, Roy J Carver Ctr Comparat Genom, Iowa City, IA 52242 USA. NOAA, Natl Ocean Serv, Ctr Coastal Environm Hlth & Biomol Res, Charleston, SC USA. Dept Energy, Joint Genome Inst, Walnut Creek, CA USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Walnut Creek, CA USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Genom Div, Berkeley, CA 94720 USA. RP Nosenko, T (reprint author), Univ Iowa, Dept Biol Sci, Roy J Carver Ctr Comparat Genom, Iowa City, IA 52242 USA. EM debashi-bhattacharya@uiowa.edu NR 73 TC 70 Z9 71 U1 2 U2 9 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0737-4038 J9 MOL BIOL EVOL JI Mol. Biol. Evol. PD NOV PY 2006 VL 23 IS 11 BP 2026 EP 2038 DI 10.1093/molbev/msl074 PG 13 WC Biochemistry & Molecular Biology; Evolutionary Biology; Genetics & Heredity SC Biochemistry & Molecular Biology; Evolutionary Biology; Genetics & Heredity GA 092KF UT WOS:000241094700006 PM 16877498 ER PT J AU Chumley, TW Palmer, JD Mower, JP Fourcade, HM Calie, PJ Boore, JL Jansen, RK AF Chumley, Timothy W. Palmer, Jeffrey D. Mower, Jeffrey P. Fourcade, H. Matthew Calie, Patrick J. Boore, Jeffrey L. Jansen, Robert K. TI The complete chloroplast genome sequence of Pelargonium x hortorum: Organization and evolution of the largest and most highly rearranged chloroplast genome of land plants SO MOLECULAR BIOLOGY AND EVOLUTION LA English DT Article DE Geraniaceae; Pelargonium; chloroplast genome; genome rearrangement; inverted repeat; inversion; gene duplication; pseudogenes ID COMPLETE NUCLEOTIDE-SEQUENCE; SUNFLOWER FAMILY ASTERACEAE; ADIANTUM-CAPILLUS-VENERIS; TOBACCO PLASTID GENOME; LARGE INVERTED REPEAT; DNA INVERSION MARKS; TRANSFER-RNA GENES; PHYLOGENETIC-RELATIONSHIPS; HORNWORT CHLOROPLASTS; ANGIOSPERM EVOLUTION AB The chloroplast genome of Pelargonium x hortorum has been completely sequenced. It maps as a circular molecule of 217,942 bp and is both the largest and most rearranged land plant chloroplast genome yet sequenced. It features 2 copies of a greatly expanded inverted repeat (IR) of 75,741 bp each and, consequently, diminished single-copy regions of 59,710 and 6,750 bp. Despite the increase in size and complexity of the genome, the gene content is similar to that of other angiosperms, with the exceptions of a large number of pseudogenes, the recognition of 2 open reading frames (ORF56 and ORF42) in the trnA intron with similarities to previously identified mitochondrial products (ACRS and pvs-trnA), the losses of accD and trnT-ggu and, in particular, the presence of a highly divergent set of rpoA-like ORFs rather than a single, easily recognized gene for rpoA. The 3-fold expansion of the IR (relative to most angiosperms) accounts for most of the size increase of the genome, but an additional 10% of the size increase is related to the large number of repeats found. The Pelargonium genome contains 35 times as many 31 bp or larger repeats than the unrearranged genome of Spinacia. Most of these repeats occur near the rearrangement hotspots, and 2 different associations of repeats are localized in these regions. These associations are characterized by full or partial duplications of several genes, most of which appear to be nonfunctional copies or pseudogenes. These duplications may also be linked to the disruption of at least 1 but possibly 2 or 3 operons. We propose simple models that account for the major rearrangements with a minimum of 8 IR boundary changes and 12 inversions in addition to several insertions of duplicated sequence. C1 Univ Texas, Austin, TX 78712 USA. Indiana Univ, Bloomington, IN USA. Lawrence Berkeley Lab, Walnut Creek, CA USA. Joint Gen Inst, Dept Energy, Walnut Creek, CA USA. Eastern Kentucky Univ, Richmond, KY 40475 USA. Univ Calif Berkeley, Berkeley, CA 94720 USA. RP Chumley, TW (reprint author), Univ Texas, Austin, TX 78712 USA. EM tchumley@mail.utexas.edu RI Mower, Jeffrey/B-7875-2008; Jansen, Robert/F-6272-2011; Palmer, Jeffrey/P-6747-2014 OI Mower, Jeffrey/0000-0002-1501-5809; Palmer, Jeffrey/0000-0002-4626-2220 NR 91 TC 125 Z9 210 U1 4 U2 35 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0737-4038 J9 MOL BIOL EVOL JI Mol. Biol. Evol. PD NOV PY 2006 VL 23 IS 11 BP 2175 EP 2190 DI 10.1093/molbev/msl089 PG 16 WC Biochemistry & Molecular Biology; Evolutionary Biology; Genetics & Heredity SC Biochemistry & Molecular Biology; Evolutionary Biology; Genetics & Heredity GA 092KF UT WOS:000241094700020 PM 16916942 ER PT J AU Liu, T Qian, WJ Mottaz, HM Gritsenko, MA Norbeck, AD Moore, RJ Purvine, SO Camp, DG Smith, RD AF Liu, Tao Qian, Wei-Jun Mottaz, Heather M. Gritsenko, Marina A. Norbeck, Angela D. Moore, Ronald J. Purvine, Samuel O. Camp, David G., II Smith, Richard D. TI Evaluation of multiprotein immunoaffinity subtraction for plasma proteomics and candidate biomarker discovery using mass spectrometry SO MOLECULAR & CELLULAR PROTEOMICS LA English DT Article ID HUMAN SERUM; DEPLETION; PROTEINS; ABUNDANCE; CHROMATOGRAPHY; PEPTIDE; MODEL AB Strategies for removal of high abundance proteins have been increasingly utilized in proteomic studies of serum/plasma and other body fluids to enhance the detection of low abundance proteins and achieve broader proteome coverage; however, both the reproducibility and specificity of the high abundance protein depletion process still represent common concerns. Here we report a detailed evaluation of immunoaffinity subtraction performed applying the ProteomeLab IgY-12 system that is commonly used in human serum/plasma proteome characterization in combination with high resolution LC-MS/MS. Plasma samples were repeatedly processed using this approach, and the resulting flow-through fractions and bound fractions were individually analyzed for comparison. The removal of target proteins by the immunoaffinity subtraction system and the overall process was highly reproducible. Non-target proteins, including one spiked protein standard ( rabbit glyceraldehyde-3-phosphate dehydrogenase), were also observed to bind to the column at different levels but also in a reproducible manner. The results suggest that multiprotein immunoaffinity subtraction systems can be readily integrated into quantitative strategies to enhance detection of low abundance proteins in biomarker discovery studies. C1 Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. RP Smith, RD (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, POB 999,MSIN K8-98, Richland, WA 99352 USA. EM rds@pnl.gov RI Qian, Weijun/C-6167-2011; Smith, Richard/J-3664-2012; Liu, Tao/A-9020-2013 OI Smith, Richard/0000-0002-2381-2349; Liu, Tao/0000-0001-9529-6550 FU NCRR NIH HHS [P41 RR018522, RR-18522]; NIGMS NIH HHS [U54 GM-62119-02, U54 GM062119] NR 22 TC 160 Z9 165 U1 2 U2 17 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 1535-9476 J9 MOL CELL PROTEOMICS JI Mol. Cell. Proteomics PD NOV PY 2006 VL 5 IS 11 BP 2167 EP 2174 DI 10.1074/mcp.T600039-MCP200 PG 8 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 112IZ UT WOS:000242520500014 PM 16854842 ER PT J AU Abdallah, AM Verboom, T Hannes, F Safi, M Strong, M Eisenberg, D Musters, RJP Vendenbroucke-Grauls, CMJE Appelmelk, BJ Luirink, J Bitter, W AF Abdallah, M. Abdallah Verboom, Theo Hannes, Fredericke Safi, Mohamad Strong, Michael Eisenberg, David Musters, Rene J. P. Vendenbroucke-Grauls, Christina M. J. E. Appelmelk, Ben J. Luirink, Joen Bitter, Wilbert TI A specific secretion system mediates PPE41 transport in pathogenic mycobacteria SO MOLECULAR MICROBIOLOGY LA English DT Article ID BACILLE CALMETTE-GUERIN; BOVIS BCG; TUBERCULOSIS; VIRULENCE; PROTEIN; GENES; MACROPHAGES; SMEGMATIS; ESAT-6; IMMUNOGENICITY AB Mycobacterial genomes contain two unique gene families, the so-called PE and PPE gene families, which are highly expanded in the pathogenic members of this genus. Here we report that one of the PPE proteins, i.e. PPE41, is secreted by pathogenic mycobacteria, both in culture and in infected macrophages. As PPE41 lacks a signal sequence a dedicated secretion system must be involved. A single gene was identified in Mycobacterium marinum that showed strongly reduced PPE41 secretion. This gene was located in a gene cluster whose predicted proteins encode components of an ESAT-6-like secretion system. This cluster, designated ESX-5, is conserved in various pathogenic mycobacteria, but not in the saprophytic species Mycobacterium smegmatis. Therefore, different regions of this cluster were introduced in M. smegmatis. Only introduction of the complete ESX-5 locus resulted in efficient secretion of heterologously expressed PPE41. This PPE secretion system is also involved in the virulence of pathogenic mycobacteria, as the ESX-5 mutant of M. marinum was affected in spreading to uninfected macrophages. C1 Vrije Univ Amsterdam, Med Ctr, Dept Med Microbiol & Infect Dis, NL-1081 HV Amsterdam, Netherlands. Vrije Univ Amsterdam, Med Ctr, Dept Physiol, NL-1081 HV Amsterdam, Netherlands. Univ Calif Los Angeles, DOE, Inst Genom & Prot, Los Angeles, CA USA. Vrije Univ Amsterdam, Dept Mol Microbiol, Amsterdam, Netherlands. RP Bitter, W (reprint author), Vrije Univ Amsterdam, Med Ctr, Dept Med Microbiol & Infect Dis, De Boelelaan 1085, NL-1081 HV Amsterdam, Netherlands. EM w.bitter@vumc.nl NR 36 TC 130 Z9 139 U1 0 U2 5 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0950-382X J9 MOL MICROBIOL JI Mol. Microbiol. PD NOV PY 2006 VL 62 IS 3 BP 667 EP 679 DI 10.1111/j.1365-2958.2006.05409.x PG 13 WC Biochemistry & Molecular Biology; Microbiology SC Biochemistry & Molecular Biology; Microbiology GA 094MT UT WOS:000241244200006 PM 17076665 ER PT J AU McGrath, MJ Siepmann, JI Kuo, IFW Mundy, CJ AF McGrath, M. J. Siepmann, J. I. Kuo, I. -F. W. Mundy, C. J. TI Vapor-liquid equilibria of water from first principles: comparison of density functionals and basis sets SO MOLECULAR PHYSICS LA English DT Article; Proceedings Paper CT 7th Liblice Conference on Statistical Mechanics of Liquids CY JUN 11-16, 2006 CL Lednice, CZECH REPUBLIC DE Monte Carlo; density functional theory; phase equilibria; water ID INITIO MOLECULAR-DYNAMICS; SPACE GAUSSIAN PSEUDOPOTENTIALS; MONTE-CARLO SIMULATIONS; AB-INITIO; PHASE-EQUILIBRIA; SUPERCRITICAL CONDITIONS; COMPUTER-SIMULATIONS; AMBIENT CONDITIONS; FORCE-FIELDS; APPROXIMATION AB Gibbs ensemble Monte Carlo simulations were run with an efficient mixed-basis electronic structure method to explore the phase equilibria of water from first principles using Kohn-Sham density functional theory. The Perdew-Burke-Ernzerhof exchange/correlation density functional gives a higher critical temperature (700 K) and boiling point (480 K) than experiment, although good agreement is found for the saturated liquid densities. A systematic increase in the size of the basis set for the Becke-Lee-Yang-Parr exchange/correlation density functional from a double-zeta to quadruple-zeta split valence leads to further deviations from experiment on the saturated liquid and vapor densities, while the intermediate basis set gives the best results for the heat of vaporization at T = 423 K. Analysis of the liquid structure for all simulations shows changes that can partially be explained by the different densities at a given temperature, and both density functionals show a similar temperature dependence of the liquid structure. C1 Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA. Univ Minnesota, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA. Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. RP Siepmann, JI (reprint author), Univ Minnesota, Dept Chem, 207 Pleasant St SE, Minneapolis, MN 55455 USA. EM siepmann@chem.umn.edu NR 66 TC 52 Z9 52 U1 3 U2 18 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0026-8976 J9 MOL PHYS JI Mol. Phys. PD NOV-DEC PY 2006 VL 104 IS 22-24 BP 3619 EP 3626 DI 10.1080/00268970601014781 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 132YB UT WOS:000243977700023 ER PT J AU Swedlow, JR Lewis, SE Goldberg, IG AF Swedlow, Jason R. Lewis, Suzanna E. Goldberg, Ilya G. TI Modelling data across labs, genomes, space and time SO NATURE CELL BIOLOGY LA English DT Review ID QUANTITATIVE-ANALYSIS; HUMAN-CELLS; MICROSCOPY; DYNAMICS; INFORMATICS; MOVEMENT; ONTOLOGY; BIOLOGY; SCREEN; FILE AB Logical models and physical specifications provide the foundation for storage, management and analysis of complex sets of data, and describe the relationships between measured data elements and metadata - the contextual descriptors that define the primary data. Here, we use imaging applications to illustrate the purpose of the various implementations of data specifications and the requirement for open, standardized, data formats to facilitate the sharing of critical digital data and metadata. C1 Univ Dundee, Fac Life Sci, Div Gene Regulat & Express, Wellcome Trust Bioctr, Dundee DD1 5EH, Scotland. Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94729 USA. NIA, Image Informat & Computat Biol Unit, Genet Lab, NIH, Baltimore, MD 21224 USA. RP Swedlow, JR (reprint author), Univ Dundee, Fac Life Sci, Div Gene Regulat & Express, Wellcome Trust Bioctr, Dow St, Dundee DD1 5EH, Scotland. EM jason@lifesci.dundee.ac.uk RI Goldberg, Ilya/H-5307-2011; OI Goldberg, Ilya/0000-0001-8514-6110; Lewis, Suzanna/0000-0002-8343-612X; Swedlow, Jason/0000-0002-2198-1958 FU Biotechnology and Biological Sciences Research Council [BB/D006589/1]; Wellcome Trust NR 28 TC 21 Z9 23 U1 0 U2 1 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1465-7392 J9 NAT CELL BIOL JI Nat. Cell Biol. PD NOV PY 2006 VL 8 IS 11 BP 1190 EP 1194 DI 10.1038/ncb1496 PG 5 WC Cell Biology SC Cell Biology GA 101HR UT WOS:000241732400003 PM 17060903 ER PT J AU Cai, ST Lee, CC Kohwi-Shigematsu, T AF Cai, Shutao Lee, Charles C. Kohwi-Shigematsu, Terumi TI SATB1 packages densely looped, transcriptionally active chromatin for coordinated expression of cytokine genes SO NATURE GENETICS LA English DT Article ID BETA-GLOBIN LOCUS; MAR-BINDING PROTEIN; T-CELLS; IN-VIVO; ERYTHROID-DIFFERENTIATION; CHROMOSOME CONFORMATION; HISTONE ACETYLATION; LINEAGE COMMITMENT; CONTROL REGION; IMMUNE-SYSTEM AB SATB1 (special AT-rich sequence binding protein 1) organizes cell type-specific nuclear architecture by anchoring specialized DNA sequences and recruiting chromatin remodeling factors to control gene transcription. We studied the role of SATB1 in regulating the coordinated expression of Il5, Il4 and Il13, located in the 200-kb T-helper 2 (T(H)2) cytokine locus on mouse chromosome 11. We show that on T(H)2 cell activation, SATB1 expression is rapidly induced to form a unique transcriptionally active chromatin structure at the cytokine locus. In this structure, chromatin is folded into numerous small loops, all anchored to SATB1 at their base. In addition, histone H3 is acetylated at Lys9 and Lys14, and the T(H)2-specific factors GATA3, STAT6 and c-Maf, the chromatin-remodeling enzyme Brg1 and RNA polymerase II are all bound across the 200-kb region. Before activation, the TH2 cytokine locus is already associated with GATA3 and STAT6, showing some looping, but these are insufficient to induce cytokine gene expression. Using RNA interference, we show that on cell activation, SATB1 is required not only for compacting chromatin into dense loops at the 200-kb cytokine locus but also for inducing Il4, Il5, Il13 and c-Maf expression. Thus, SATB1 is a necessary determinant for the hitherto unidentified higher-order, transcriptionally active chromatin structure that forms on TH2 cell activation. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Kohwi-Shigematsu, T (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM terumiks@lbl.gov NR 50 TC 329 Z9 341 U1 2 U2 12 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK STREET, 9TH FLOOR, NEW YORK, NY 10013-1917 USA SN 1061-4036 J9 NAT GENET JI Nature Genet. PD NOV PY 2006 VL 38 IS 11 BP 1278 EP 1288 DI 10.1038/ng1913 PG 11 WC Genetics & Heredity SC Genetics & Heredity GA 099KH UT WOS:000241592700016 PM 17057718 ER PT J AU Ma, E Shen, TD Wu, XL AF Ma, E. Shen, T. D. Wu, X. L. TI Dislocation propagation versus dislocation nucleation - Authors' response SO NATURE MATERIALS LA English DT Letter ID NANOSTRUCTURED METALS C1 Johns Hopkins Univ, Dept Mat Sci & Engn, Baltimore, MD 21218 USA. Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100080, Peoples R China. RP Ma, E (reprint author), Johns Hopkins Univ, Dept Mat Sci & Engn, Baltimore, MD 21218 USA. EM ema@jhu.edu RI Ma, En/A-3232-2010 NR 6 TC 1 Z9 1 U1 2 U2 32 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1476-1122 J9 NAT MATER JI Nat. Mater. PD NOV PY 2006 VL 5 IS 11 BP 841 EP 841 DI 10.1038/nmat1764b PG 1 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA 101HN UT WOS:000241732000003 PM 17077839 ER PT J AU Pioletti, M Findeisen, F Hura, GL Minor, DL AF Pioletti, Marta Findeisen, Felix Hura, Greg L. Minor, Daniel L., Jr. TI Three-dimensional structure of the KChIP1-Kv4.3 T1 complex reveals a cross-shaped octamer SO NATURE STRUCTURAL & MOLECULAR BIOLOGY LA English DT Article ID KV4 K+ CHANNELS; NEURONAL CALCIUM SENSOR-1; OUTWARD POTASSIUM CURRENT; RAY SOLUTION SCATTERING; SMALL-ANGLE SCATTERING; I-TO; KCHIP2 ISOFORMS; BETA-SUBUNITS; BIOLOGICAL MACROMOLECULES; FUNCTIONAL INTERACTION AB Brain I-A and cardiac I-to currents arise from complexes containing Kv4 voltage-gated potassium channels and cytoplasmic calciumsensor proteins (KChIPs). Here, we present X-ray crystallographic and small-angle X-ray scattering data that show that the KChIP1-Kv4.3 N-terminal cytoplasmic domain complex is a cross-shaped octamer bearing two principal interaction sites. Site 1 comprises interactions between a unique Kv4 channel N-terminal hydrophobic segment and a hydrophobic pocket formed by displacement of the KChIP H10 helix. Site 2 comprises interactions between a T1 assembly domain loop and the KChIP H2 helix. Functional and biochemical studies indicate that site 1 influences channel trafficking, whereas site 2 affects channel gating, and that calcium binding is intimately linked to KChIP folding and complex formation. Together, the data resolve how Kv4 channels and KChIPs interact and provide a framework for understanding how KChIPs modulate Kv4 function. C1 Univ Calif San Francisco, Cardiovasc Res Inst, Dept Biochem & Biophys, Calif Inst Quantitat Biomed Res, San Francisco, CA 94143 USA. Univ Calif San Francisco, Dept Cellular & Mol Pharmacol, Calif Inst Quantitat Biomed Res, San Francisco, CA 94143 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Minor, DL (reprint author), Univ Calif San Francisco, Cardiovasc Res Inst, Dept Biochem & Biophys, Calif Inst Quantitat Biomed Res, San Francisco, CA 94143 USA. EM daniel.minor@ucsf.edu FU NCI NIH HHS [P01 CA092584, CA92584]; NIDCD NIH HHS [R01 DC007664, R01 DC007664-02] NR 60 TC 97 Z9 100 U1 1 U2 6 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK STREET, 9TH FLOOR, NEW YORK, NY 10013-1917 USA SN 1545-9985 J9 NAT STRUCT MOL BIOL JI Nat. Struct. Mol. Biol. PD NOV PY 2006 VL 13 IS 11 BP 987 EP 995 DI 10.1038/nsmb1164 PG 9 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA 102NA UT WOS:000241817700010 PM 17057713 ER PT J AU Alam, SL Langelier, C Whitby, FG Koirala, S Robinson, H Hill, CP Sundquist, WI AF Alam, Steven L. Langelier, Charles Whitby, Frank G. Koirala, Sajjan Robinson, Howard Hill, Christopher P. Sundquist, Wesley I. TI Structural basis for ubiquitin recognition by the human ESCRT-II EAP45 GLUE domain SO NATURE STRUCTURAL & MOLECULAR BIOLOGY LA English DT Article ID PLECKSTRIN HOMOLOGY DOMAINS; GLUE DOMAIN; PH DOMAIN; BINDING; PROTEIN; MECHANISM AB The ESCRT-I and ESCRT-II complexes help sort ubiquitinated proteins into vesicles that accumulate within multivesicular bodies (MVBs). Crystallographic and biochemical analyses reveal that the GLUE domain of the human ESCRT-II EAP45 (also called VPS36) subunit is a split pleckstrin-homology domain that binds ubiquitin along one edge of the b-sandwich. The structure suggests how human ESCRT-II can couple recognition of ubiquitinated cargoes and endosomal phospholipids during MVB protein sorting. C1 Univ Utah, Dept Biochem, Salt Lake City, UT 84112 USA. 463 Brookhaven Natl Lab, Upton, NY 11973 USA. RP Hill, CP (reprint author), Univ Utah, Dept Biochem, Salt Lake City, UT 84112 USA. EM chris@biochem.utah.edu; wes@biochem.utah.edu FU NIAID NIH HHS [AI51174, R01 AI051174]; NIGMS NIH HHS [GM66521, P01 GM066521] NR 15 TC 40 Z9 41 U1 1 U2 6 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK STREET, 9TH FLOOR, NEW YORK, NY 10013-1917 USA SN 1545-9985 J9 NAT STRUCT MOL BIOL JI Nat. Struct. Mol. Biol. PD NOV PY 2006 VL 13 IS 11 BP 1029 EP 1030 DI 10.1038/nsmb1160 PG 2 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA 102NA UT WOS:000241817700017 PM 17057716 ER PT J AU Grossman, R Hoffman, C Mardor, Y Biegon, A AF Grossman, Rachel Hoffman, Chen Mardor, Yael Biegon, Anat TI Quantitative MRI measurements of human fetal brain development in utero SO NEUROIMAGE LA English DT Article DE volumetric; fetal MRI; ventriculomegaly; brain anomaly ID CISTERNA MAGNA; PRENATAL-DIAGNOSIS; GESTATIONAL-AGE; POSTERIOR-FOSSA; INFANTS; HEMORRHAGE; MATURATION; SONOGRAPHY; FETUS; SCORE AB Magnetic resonance imaging (MRI) allows for high resolution imaging of the central nervous system. We have tested the feasibility of using MRI in conjunction with quantitative image analysis to perform volumetric measurements of the brain in the developing human fetus in utero. The database comprises MR images of a total of 56 fetuses (gestational age 25-41 weeks) referred because of suspected abnormalities due to ultrasound findings, family history or maternal illness and scanned on a 1.5 T MR system using a single-shot fast spin echo (SSFSE) T2 sequence, slice thickness 3 mm, no gap. Four out of the 56 scans could not be used in the analysis due to poor image quality. Automatic segmentation (using NIH Image routines) was found to be unreliable in these fetal brains, so cerebral, cerebellar and ventricular regions were traced manually. Ventricular volumes did not vary with gestational age in normal fetuses (N=27, R=0.05, p=0.8) while cerebral parenchyma and cerebellum volumes increased significantly during the same period (R=0.67, p=0.0002 and R=0.51, p=0.0066 respectively). Two calculated parameters: percent ventricular asymmetry and volume ratio of ventricles to hemispheric parenchyma were found to be very sensitive to ventricular pathology; such that the mean value of the latter in normal fetuses was 4.4%=+/- 0.56 (mean +/- SEM, N=27) compared to 34.3% +/- 17.6 (N=6, p < 0.0001) in fetuses with ventriculomegaly. These results support the use of image analysis and MRI to produce normal growth curves as well as quantitative severity assessments of brain pathologies in the developing human fetus. (c) 2006 Elsevier Inc. All rights reserved. C1 Chaim Sheba Med Ctr, J Sagol Neurosci Ctr, IL-52621 Tel Hashomer, Israel. Chaim Sheba Med Ctr, Dept Neurosurg, IL-52621 Tel Hashomer, Israel. Chaim Sheba Med Ctr, Dept Radiol, IL-52621 Tel Hashomer, Israel. Chaim Sheba Med Ctr, Adv Technol Dept, IL-52621 Tel Hashomer, Israel. Brookhaven Natl Lab, Upton, NY 11973 USA. RP Biegon, A (reprint author), Chaim Sheba Med Ctr, J Sagol Neurosci Ctr, IL-52621 Tel Hashomer, Israel. EM biegon@bnl.gov NR 24 TC 39 Z9 43 U1 0 U2 3 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1053-8119 J9 NEUROIMAGE JI Neuroimage PD NOV 1 PY 2006 VL 33 IS 2 BP 463 EP 470 DI 10.1016/j.neuroimage.2006.07.005 PG 8 WC Neurosciences; Neuroimaging; Radiology, Nuclear Medicine & Medical Imaging SC Neurosciences & Neurology; Radiology, Nuclear Medicine & Medical Imaging GA 096WF UT WOS:000241406800004 PM 16938471 ER PT J AU Schroder, L Weber, MA Ulrich, M Regula, JU AF Schroeder, Leif Weber, Marc-Andre Ulrich, Marco Regula, Jens U. TI Metabolic imaging of atrophic muscle tissue using appropriate markers in H-1 and P-31 NMR spectroscopy SO NEURORADIOLOGY LA English DT Article DE atrophic muscle; H-1 spectroscopy; P-31 spectroscopic imaging ID MAGNETIC-RESONANCE-SPECTROSCOPY; HUMAN-CALF-MUSCLE; IN-VIVO; SKELETAL-MUSCLE; DENERVATION; SPECTRA; REINNERVATION AB Introduction The purpose of this feasibility study was to demonstrate non-invasive metabolic imaging of human muscular atrophy using significant changes of NMR signals that are related directly or indirectly to fiber necrosis. Methods Single-voxel H-1 NMR spectroscopy and two-dimensional P-31 spectroscopic imaging on a 1.5-T whole-body scanner were used for in vivo mapping of areas of muscle damage in two cases of differently localized and pronounced atrophy. Spectral patterns affiliated with severe and intermediate stages of degeneration were compared to data of healthy control tissue to derive appropriate metabolic markers related to lipid infiltration or high-energy P-31 metabolism. Results Reliable detection of atrophic tissue was achieved by the following parameters: ( 1) liposclerotic turnover is related to a drastic reduction in the water/lipid H-1 signal intensity ratio ( up to a factor of 74 compared to adjacent healthy tissue); ( 2) the P-31 resonance of phosphocreatine (PCr) is an adequate marker for differentiation of intact myocells with high-energy metabolism from regions dominated by terminal fiber necrosis ( PCr signal vanished nearly completely or intensity was reduced by a factor of 3 in affected muscles). Metabolic images based on this signal allowed accurate non-invasive localization of atrophic tissue. Conclusion The molecular information provided by NMR spectroscopy - previously only used with poor localization in atrophy studies - enables access to both the myocell-specific high-energy metabolism and the result of lipid infiltration allowing non-invasive mapping of degenerate tissue. The ability to investigate the results of these advanced levels of atrophy would also be useful for studies of more subtle degrees of denervation. C1 Deutsch Krebsforschungszentrum, Abt Med Phys Radiol, D-69120 Heidelberg, Germany. Deutsch Krebsforschungszentrum, Abt Radiol, D-69120 Heidelberg, Germany. Cent Inst Mental Hlth, D-68159 Mannheim, Germany. Univ Heidelberg Hosp, Dept Neurol, D-69120 Heidelberg, Germany. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Schroder, L (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM schroeder@waugh.cchem.berkeley.edu RI Schroder, Leif/H-6036-2011; Weber, Marc-Andre/C-4452-2016 OI Schroder, Leif/0000-0003-4901-0325; NR 18 TC 4 Z9 4 U1 0 U2 7 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 0028-3940 J9 NEURORADIOLOGY JI Neuroradiology PD NOV PY 2006 VL 48 IS 11 BP 809 EP 816 DI 10.1007/s00234-006-0121-0 PG 8 WC Clinical Neurology; Neuroimaging; Radiology, Nuclear Medicine & Medical Imaging SC Neurosciences & Neurology; Radiology, Nuclear Medicine & Medical Imaging GA 107CV UT WOS:000242149200004 PM 17031631 ER PT J AU Labiano, A O'Dea, CP Barthel, PD de Vries, WH Baum, SA AF Labiano, A. O'Dea, C. P. Barthel, P. D. de Vries, W. H. Baum, S. A. TI Star formation in hosts of young radio galaxies SO NEW ASTRONOMY REVIEWS LA English DT Article; Proceedings Paper CT International Workshop on QSO Host Galaxies CY AUG 22-26, 2005 CL Leiden, NETHERLANDS DE galaxies : stellar content; galaxies : photometry; ultraviolet : galaxies ID COMPACT STEEP-SPECTRUM; SPECTROSCOPY; EMISSION; IMAGES; SAMPLE; VLBI AB We present near ultraviolet imaging with the Hubble Space Telescope Advanced Camera for Surveys, targeting young radio galaxies (gigahertz peaked spectrum and compact steep spectrum sources), in search of star formation regions in their hosts. We find near UV light which could be the product of recent star formation in eight of the nine observed sources. However, observations at other wavelengths and colors are needed to definitively establish the nature of the observed UV light. In the CSS sources 1443+77 and 1814-637 the near UV light is aligned with and is co-spatial with the radio source, and we suggest that in these sources the UV light is produced by star formation triggered and/or enhanced by the radio source. (c) 2006 Published by Elsevier B.V. C1 Univ Groningen, Kapteyn Astron Inst, NL-9700 AV Groningen, Netherlands. Rochester Inst Technol, Dept Phys, Rochester, NY 14623 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Rochester Inst Technol, Ctr Imaging Sci, Rochester, NY 14623 USA. RP Labiano, A (reprint author), Univ Groningen, Kapteyn Astron Inst, NL-9700 AV Groningen, Netherlands. EM labiano@astro.rug.nl NR 19 TC 1 Z9 1 U1 0 U2 0 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1387-6473 J9 NEW ASTRON REV JI New Astron. Rev. PD NOV PY 2006 VL 50 IS 9-10 BP 776 EP 778 DI 10.1016/j.newar.2006.06.033 PG 3 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 103PE UT WOS:000241898400028 ER PT J AU Paller, MH Fletcher, DE Standora, MM Grabowski, TB Jones, TA Dyer, SA Isely, JJ AF Paller, M. H. Fletcher, D. E. Standora, M. M. Grabowski, T. B. Jones, T. A. Dyer, S. A. Isely, J. J. TI Emigration of fish from two South Carolina cooling reservoirs SO NORTH AMERICAN JOURNAL OF FISHERIES MANAGEMENT LA English DT Article AB We assessed fish escapement from two South Carolina reservoirs, Par Pond and L Lake, from spring 2002 through summer 2003. Escapement was greatest in the spring and early summer, with lake chubsucker Erimyzon sucetta dominating the escapement catch in early spring and several sunfishes Lepomis spp. dominating in late spring and early summer. Most of the escaping centrarchids were bluegill L. macrochirus, warmouth L. gulosus, and redbreast sunfish L. auritus in L Lake and warmouths, bluegills, dollar sunfish L. marginatus, and spotted sunfish L. punctatus in Par Pond. Escapement was enhanced by high reservoir water levels and surface discharge over the spillway. Escapement declined during periods of hypolininetic release from bottom discharge gates. Location of the Par Pond discharge structure in the littoral zone rather than the pelagic zone as in L Lake contributed to greater escapement of littoral species in Par Pond. Species composition in the escapement catches and reservoirs was not significantly correlated. Relatively low escapement from L Lake and Par Pond compared with that in other reservoirs may have been related to the configuration of the discharge structures, low water levels during 2002, fish habitat preferences, species composition and abundance in the reservoirs, and low rates of discharge. C1 Savannah River Natl Lab, Aiken, SC 29808 USA. Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. Clemson Univ, S Carolina Cooperat Fish & Wildlife Res Unit, Clemson, SC 29634 USA. Westinghouse Savannah River Co, Savannah River Site, SGCP Risk Assessment, Aiken, SC 29808 USA. Clemson Univ, Dept Aquaculture Fisheries & Wildlife, Clemson, SC 29634 USA. RP Paller, MH (reprint author), Savannah River Natl Lab, Bldg 773-42A,Savannah River Site, Aiken, SC 29808 USA. EM michael.paller@srnl.doe.gov NR 19 TC 7 Z9 7 U1 2 U2 7 PU AMER FISHERIES SOC PI BETHESDA PA 5410 GROSVENOR LANE SUITE 110, BETHESDA, MD 20814-2199 USA SN 0275-5947 J9 N AM J FISH MANAGE JI North Am. J. Fish Manage. PD NOV PY 2006 VL 26 IS 4 BP 976 EP 982 DI 10.1577/M05-168.1 PG 7 WC Fisheries SC Fisheries GA 119JR UT WOS:000243009100023 ER PT J AU Michalet, X Siegmund, OHW Vallerga, JV Jelinsky, P Millaud, JE Weiss, S AF Michalet, X. Siegmund, O. H. W. Vallerga, J. V. Jelinsky, P. Millaud, J. E. Weiss, S. TI Photon-counting H33D detector for biological fluorescence imaging SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 4th International Conference on New Developments in Photodetection CY JUN 19-24, 2005 CL Beaune, FRANCE SP DSM CEA, IN2P3 CNRS, Univ Savoie DE photon counting; photocathode; position sensitive anode; fluorescence; lifetime; quantum dot ID RESISTIVE-ANODE; QUANTUM DOTS; SPECTROSCOPY; MICROSCOPY; RESOLUTION; CELLS AB We have developed a photon-counting High-temporal and High-spatial resolution, High-throughput 3-Dimensional detector (H33D) for biological imaging of fluorescent samples. The design is based on a 25 mm diameter S20 photocathode followed by a 3-microchannel plate stack, and a cross-delay line anode. We describe the bench performance of the H33D detector, as well as preliminary imaging results obtained with fluorescent beads, quantum dots and live cells and discuss applications of future generation detectors for single-molecule imaging and high-throughput study of biomolecular interactions. (c) 2006 Elsevier B.V. All rights reserved. C1 Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. Univ Calif Berkeley, Space Sci Lab, Expt Astrophys Grp, Berkeley, CA 94720 USA. Lawrence Livermore Natl Lab, Adv Detector Grp, Livermore, CA 94550 USA. RP Michalet, X (reprint author), Univ Calif Los Angeles, Dept Chem & Biochem, 607 Charles E Young Dr E, Los Angeles, CA 90095 USA. EM michalet@chem.ucla.edu RI weiss, shimon/B-4164-2009; Michalet, Xavier/A-9704-2009 OI weiss, shimon/0000-0002-0720-5426; Michalet, Xavier/0000-0001-6602-7693 FU NCRR NIH HHS [R43 RR017474, R21 RR017414, R21 RR017414-02, R44 RR017474]; NIBIB NIH HHS [R01 EB000312] NR 15 TC 23 Z9 23 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD NOV 1 PY 2006 VL 567 IS 1 BP 133 EP 136 DI 10.1016/j.nima.2006.05.155 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 099ZJ UT WOS:000241636300029 PM 20151021 ER PT J AU Popov, V Majewski, S Welch, BL AF Popov, Vladimir Majewski, Stan Welch, Benjamin L. TI A novel readout concept for multianode photomultiplier tubes with pad matrix anode layout SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 4th International Conference on New Developments in Photodetection CY JUN 19-24, 2005 CL Beaune, FRANCE SP DSM CEA, IN2P3 CNRS, Univ Savoie DE multianode photomultiplier tube; readout electronics; radiation imaging; photomultiplier tube; gain correction AB We have developed a new analog readout concept for multianode photomultiplier tubes with a pad matrix anode layout. This new readout technique is the result of a modification of a technique previously developed at the Detector Group of Jefferson Lab, (V. Popov, US patent. No: 6,747,263 B I) [V. Popov, S. Majewski, A.G. Weisenberger, Readout Electronics for Multianode Photomultiplier Tubes with Pad Matrix Anode Layout, Thomas Jefferson National Accelerator Facility, IEEE 2003 Medical Imaging Conference Record, November 2003]. The new analog readout circuit provides the same analog conversion of matrix 2-D output into X and Y projective output with a significant reduction of analog outputs. The old readout network consists of resistors' matrix and current collecting amplifiers, and it provides decoupling of each anode out put into two directions (one to X and one to Y coordinates), but a decoupling function that is carried out independent of photomultiplier tube gains nonuniformity. A newly developed readout network (US patent pending) also consists of resistors' matrix and current collecting amplifiers, but the new matrix includes an additional dumping resistor that provides an excess current from anode pad grounding. As a result, we subtract an extra current of high-gain pads in order to move the pads gain to an absolute minimum value for a given photomultiplier tube. This gain equalization procedure reduces image distortion related to gain nominiformity. The new readout technique was used in several new radiation imaging detectors designed in the Detector Group of Jefferson Lab. It shows a visible readout uniformity and linearity improvement. The test results of an initial evaluation of this readout that is applied for data readout of four H8500 Hamamtsu PSPMT are presented. (c) 2006 Elsevier B.V. All rights reserved. C1 Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. RP Popov, V (reprint author), Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. EM Popov@jlab.org NR 2 TC 36 Z9 39 U1 1 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD NOV 1 PY 2006 VL 567 IS 1 BP 319 EP 322 DI 10.1016/j.nima.2006.05.114 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 099ZJ UT WOS:000241636300074 ER PT J AU Barriere, N von Ballmoos, P Skinner, G Smither, B Bastie, P Hinglais, E Abrosimov, N Alvarez, JM Andersen, K Courtois, P Halloin, H Harris, M Isern, J Jean, P Knodlseder, J Ubertini, P Vedrenne, G Weldenspointner, G Wunderer, C AF Barriere, N. von Ballmoos, P. Skinner, G. Smither, B. Bastie, P. Hinglais, E. Abrosimov, N. Alvarez, J. M. Andersen, K. Courtois, P. Halloin, H. Harris, M. Isern, J. Jean, P. Knoedlseder, J. Ubertini, P. Vedrenne, G. Weldenspointner, G. Wunderer, C. TI MAX: Development of a Laue diffraction lens for nuclear astrophysics SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 4th International Conference on New Developments in Photodetection CY JUN 19-24, 2005 CL Beaune, FRANCE SP DSM CEA, IN2P3 CNRS, Univ Savoie DE instrumentation; gamma-ray lane lens; gamma-ray astrophysics; mosaic crystals ID X-RAY; DETECTORS AB The next generation of instrumentation for nuclear astrophysics will have to achieve an improvement in sensitivity by a factor of 10-100 over present technologies. With the focusing gamma-ray telescope MAX we take up this challenge and propose to combine the required sensitivity with high spectral and angular resolution, and the capability to measure the polarization of the photons. MAX is a space-borne crystal diffraction telescope, featuring a broad-band Lane lens optimized for the observation of compact sources in two wide energy bands of high astrophysical relevance. Gamma rays will be focused from the large collecting area of a crystal diffraction lens onto a very small detector volume. As a consequence, the signal to background ratio is greatly enhanced, leading to unprecedented sensitivities. (c) 2006 Elsevier B.V. All rights reserved. C1 Univ Toulouse 3, Ctr Etud Spatiale Rayonnements, F-31028 Toulouse 4, France. Argonne Natl Lab, Argonne, IL 60439 USA. Univ Grenoble 1, Spectrometrie Phys Lab, F-38402 St Martin Dheres, France. Ctr Natl Etud Spatiales, F-31401 Toulouse, France. Inst Kristallzuchtung, D-12489 Berlin, Germany. Inst Estudis Espacials Catalunya, Barcelona 8034, Spain. Inst Max Von Laue Paul Langevin, F-38042 Grenoble, France. Coll France, Federat Rech APC, F-75231 Paris, France. Ist Astrofis Spaziale & Fis Cosm, I-00133 Rome, Italy. Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. RP Barriere, N (reprint author), Univ Toulouse 3, Ctr Etud Spatiale Rayonnements, 9 Ave Colonel Roche,BP 4143, F-31028 Toulouse 4, France. EM barriere@cesr.fr RI Isern, Jordi/B-1844-2015 OI Isern, Jordi/0000-0002-0819-9574 NR 10 TC 2 Z9 2 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD NOV 1 PY 2006 VL 567 IS 1 BP 333 EP 336 DI 10.1016/j.nima.2006.05.150 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 099ZJ UT WOS:000241636300077 ER PT J AU Steyn, GF Vermeulen, C Nortier, FM Szelecsenyi, F Kovacs, Z Qaim, SM AF Steyn, G. F. Vermeulen, C. Nortier, F. M. Szelecsenyi, F. Kovacs, Z. Qaim, S. M. TI Production of no-carrier-added Pr-139 via precursor decay in the proton bombardment of Pr-nat SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article DE excitation functions; cross sections; radiolanthanides; Pr-139; Nd-140 ID EXCITATION-FUNCTIONS; ND-140 AB Excitation functions and production rates are presented for various Pr and Nd radionuclides formed in the bombardment of Pr with protons, from their respective thresholds up to 100 MeV. The indirect production route Pr-141(p, 3n)Nd-139m -> Pr-139 is investigated as an alternative to the direct production route Ce-140(p, 2n)Pr-139 for producing no-carrier-added Pr-139 of high radionuclidic purity. The simultaneous production of Pr-139 and Nd-140 using Pr as target is investigated. The advantages and disadvantages of both production routes are discussed. Experimental thick-target production rates are presented for selected Pr radionuclides formed in the bombardment of Ce-nat with protons at incident energies of 20, 26 and 32 MeV. All the experimental excitation functions obtained in this work are compared with theoretical predictions by means of the geometry-dependent hybrid (GDH) model as implemented in the code ALICE-IPPE. The results of this work are also compared with previous literature experimental data, if available. (c) 2006 Elsevier B.V. All rights reserved. C1 iThemba Lab Accelerator Based Sci, Radionuclide Prod Grp, ZA-7129 Somerset West, South Africa. Los Alamos Natl Lab, Isotopes & Nucl Chem Grp, Los Alamos, NM USA. Inst Nucl Res ATOMKI, Cyclotron Dept, H-4026 Debrecen, Hungary. Forschungszentrum Julich, Inst Nukl Chem, D-52425 Julich, Germany. RP Steyn, GF (reprint author), iThemba Lab Accelerator Based Sci, Radionuclide Prod Grp, Old Faure Rd,POB 722, ZA-7129 Somerset West, South Africa. EM Deon@tlabs.ac.za RI Vermeulen, Christiaan/C-5059-2013 OI Vermeulen, Christiaan/0000-0002-6723-8983 NR 17 TC 16 Z9 16 U1 1 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD NOV PY 2006 VL 252 IS 2 BP 149 EP 159 DI 10.1016/j.nimb.2006.08.012 PG 11 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 118FW UT WOS:000242928800001 ER PT J AU Zeitlin, C Guetersloh, SB Heilbronn, LH Miller, J AF Zeitlin, C. Guetersloh, S. B. Heilbronn, L. H. Miller, J. TI Measurements of materials shielding properties with 1 GeV/nuc Fe-56 SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article DE space radiation; galactic cosmic rays; shielding; heavy ions; fragmentation; radiation dose; dose equivalent ID MEV/NUCLEON FE-56; CROSS-SECTIONS; FRAGMENTATION; TARGETS AB The design of future spacecraft such as the Crew Exploration Vehicle must take into account the radiation shielding properties of both the structural components as well as dedicated shielding materials. Since modest depths of shielding stop the vast majority of Solar Energetic Particles (SEP), the greater challenge is posed by the need to shield the crew from the Galactic Cosmic Rays (GCR), which include highly-charged and highly-energetic particles. Here, we report on results from tests performed with beams of 1 GeV/nuc Fe-56 at the Brookhaven National Laboratory. A wide variety of targets, both elemental and composite, was placed in the particle beams, and the spectra of particles emerging from the targets were measured using a stack of silicon detectors. Results are presented primarily in terms of dose reduction per g cm(-2) of target material, and support the conclusions of an earlier calculation by Wilson et al. showing that performance improves as the shield's mass number decreases, with hydrogen being by far the most effective shielding material. The data also show that, as depth increases, the incremental benefit of adding shielding decreases. (c) 2006 Published by Elsevier B.V. C1 Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Zeitlin, C (reprint author), Lawrence Berkeley Lab, Div Life Sci, 1 Cyclotron Rd,MS 74R0197, Berkeley, CA 94720 USA. EM cjzeitlin@lbl.gov RI Heilbronn, Lawrence/J-6998-2013 OI Heilbronn, Lawrence/0000-0002-8226-1057 NR 15 TC 40 Z9 44 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD NOV PY 2006 VL 252 IS 2 BP 308 EP 318 DI 10.1016/j.nimb.2006.08.011 PG 11 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 118FW UT WOS:000242928800022 ER PT J AU Guetersloh, S Zeitlin, C Heilbronn, L Miller, J Komiyama, T Fukumura, A Iwata, Y Murakami, T Bhattacharya, M AF Guetersloh, S. Zeitlin, C. Heilbronn, L. Miller, J. Komiyama, T. Fukumura, A. Iwata, Y. Murakami, T. Bhattacharya, M. TI Polyethylene as a radiation shielding standard in simulated cosmic-ray environments SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article DE galactic cosmic rays; shielding; polyethylene; heavy ions; fragmentation; Monte Carlo; dose; dose equivalent ID 510 MEV/NUCLEON FE-56; SPACE EXPLORATION; IRON IONS; FRAGMENTATION; CODE; TARGETS; MODEL; PROTECTION; PARTICLE AB Radiation risk management for human space missions depends on accurate modeling of high-energy heavy ion transport in matter. The process of nuclear fragmentation can play a key role in reducing both the physical dose and the biological effectiveness of the radiation encountered in deep space. Hydrogenous materials and light elements are expected to be more effective shields against the deleterious effects of galactic cosmic rays (GCR) than aluminum, which is used in current spacecraft hulls. NASA has chosen polyethylene, CH(2), as the reference material for accelerator-based radiation testing of multi-function composites that are currently being developed. A detailed discussion of the shielding properties of polyethylene under a variety of relevant experimental conditions is presented, along with Monte Carlo simulations of the experiments and other Monte Carlo calculations in which the entire GCR flux is simulated. The Monte Carlo results are compared to the accelerator data and we assess the usefulness of 1 GeV/amu (56)Fe as a proxy for GCR heavy ions. We conclude that additional accelerator-based measurements with higher beam energies would be useful. (c) 2006 Elsevier B.V. All rights reserved. C1 Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. Japanese Aerosp Explorat Agcy, Ibaraki 3058505, Japan. Natl Inst Radiol Sci, Chiba 260, Japan. Natl Space Sci & Technol Ctr, Huntsville, AL 35805 USA. RP Zeitlin, C (reprint author), Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. EM cjzeitlin@lbl.gov RI Heilbronn, Lawrence/J-6998-2013 OI Heilbronn, Lawrence/0000-0002-8226-1057 NR 26 TC 33 Z9 34 U1 0 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD NOV PY 2006 VL 252 IS 2 BP 319 EP 332 DI 10.1016/j.nimb.2006.08.019 PG 14 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 118FW UT WOS:000242928800023 ER PT J AU Brodsky, SJ de Teramond, GF AF Brodsky, S. J. de Teramond, Guy F. TI Advances in light-front quantization and new perspectives for QCD from AdS/CFT SO NUCLEAR PHYSICS B-PROCEEDINGS SUPPLEMENTS LA English DT Article; Proceedings Paper CT 8th Workshop on Light-Cone QCD and Nonperturbative Hadron Physics CY 2005 CL Cairns, AUSTRALIA ID PERTURBATIVE QUANTUM CHROMODYNAMICS; WAVE-FUNCTION REPRESENTATION; EXCLUSIVE PROCESSES; TRANSVERSE LATTICE; COMPTON-SCATTERING; FORM-FACTORS; FIELD-THEORY; MOMENTUM; PION; FACTORIZATION AB The light-front quantization of gauge theories in light-cone gauge provides a frame-independent wavefunction representation of relativistic bound states, simple forms for current matrix elements, explicit unitarity, and a Fock space built on a trivial vacuum. The AdS/CFT correspondence has led to important insights into the properties of quantum chromodynamics even though QCD is a broken conformal theory. We have recently shown how a model based on a truncated AdS space can be used to obtain the hadronic spectrum of q (q) over bar, qqq and gg bound states, as well as their respective light-front wavefunctions. Specific hadrons are identified by the correspondence of string modes with the dimension of the interpolating operator of the hadron's valence Fock state, including orbital angular momentum excitations. The predicted mass spectrum is linear M proportional to L at high orbital angular momentum, in contrast to the quadratic dependence M-2 proportional to L found in the description of spinning strings. Since only one parameter, the QCD scale Lambda(QCD), is introduced, the agreement with the pattern of physical states is remarkable. In particular, the ratio of A to nucleon trajectories is determined by the ratio of zeros of Bessel functions. As a specific application of QCD dynamics from AdS/CFT duality, we describe a computation of the proton magnetic form factor in both the space-like and time-like regions. The extended AdS/CFT space-time theory also provides an analytic model for hadronic light-front wavefunctions, thus providing a relativistic description of hadrons in QCD at the amplitude level. The model wavefunctions display confinement at large inter-quark separation and conformal symmetry at short distances. In particular, the scaling and conformal properties of the LFWFs at high relative momenta agree with perturbative QCD. These AdS/CFT model wavefunctions could be used as an initial ansatz for a variational treatment of the light-front QCD Hamiltonian. C1 Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. Univ Costa Rica, San Jose, Costa Rica. RP Brodsky, SJ (reprint author), Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. NR 70 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5632 J9 NUCL PHYS B-PROC SUP JI Nucl. Phys. B-Proc. Suppl. PD NOV PY 2006 VL 161 BP 34 EP 43 DI 10.1016/j.nuclphysbps.2006.08.054 PG 10 WC Physics, Particles & Fields SC Physics GA 120VM UT WOS:000243114400007 ER PT J AU Holl, A Maris, P Roberts, CD Wright, SV AF Hoell, A. Maris, P. Roberts, C. D. Wright, S. V. TI Schwinger functions, light-quark bound states and sigma terms SO NUCLEAR PHYSICS B-PROCEEDINGS SUPPLEMENTS LA English DT Article; Proceedings Paper CT 8th Workshop on Light-Cone QCD and Nonperturbative Hadron Physics CY 2005 CL Cairns, AUSTRALIA ID CHIRAL EXTRAPOLATIONS; SYMMETRY-BREAKING; LATTICE QCD; EQUATIONS; PHYSICS; MASSES; DYSON AB We explore the viability of using solely spacelike information about a Schwinger function to extract properties of bound states. In a concrete example it is not possible to determine properties of states with masses greater than or similar to 1.2 GeV. Modern Dyson-Schwinger equation methods supply a well-constrained tool that provides access to hadron masses and sigma-terms. We report values of the latter for a range of hadrons. Of interest is an analysis relating to a u,d scalar meson, which is compatible with a picture of the lightest 0(++) as a bound state of a dressed-quark and -antiquark supplemented by a material pion cloud. A constituent-quark sigma-term is defined, which affords a means for assessing the flavour-dependence of dynamical chiral symmetry breaking. C1 Univ Rostock, Inst Phys, D-18051 Rostock, Germany. Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Holl, A (reprint author), Univ Rostock, Inst Phys, D-18051 Rostock, Germany. OI Roberts, Craig/0000-0002-2937-1361 NR 29 TC 28 Z9 28 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5632 EI 1873-3832 J9 NUCL PHYS B-PROC SUP JI Nucl. Phys. B-Proc. Suppl. PD NOV PY 2006 VL 161 BP 87 EP 94 DI 10.1016/j.nuclphysbps.2006.08.010 PG 8 WC Physics, Particles & Fields SC Physics GA 120VM UT WOS:000243114400014 ER PT J AU Melnitchouk, W AF Melnitchouk, W. TI Jefferson Lab phenomenology: selected highlights SO NUCLEAR PHYSICS B-PROCEEDINGS SUPPLEMENTS LA English DT Article; Proceedings Paper CT 8th Workshop on Light-Cone QCD and Nonperturbative Hadron Physics CY 2005 CL Cairns, AUSTRALIA ID THETA(+); SCATTERING; PENTAQUARK; RESONANCE; DUALITY AB An overview of recent experimental highlights from Jefferson Lab is presented. We review the status of baryon spectroscopy, including the search for pentaquarks, as well as measurements of electromagnetic form factors of the nucleon, featuring the proton G(E)/G(M) ratio and the determination of the strangeness form factors. In inclusive scattering, we describe recent studies of quark-hadron duality in structure functions in the resonance-scaling transition region, and outline future physics plans at an energy upgraded 12 GeV facility. C1 Jefferson Lab, Hampton, VA 23666 USA. RP Melnitchouk, W (reprint author), Jefferson Lab, 12000 Jefferson Ave, Hampton, VA 23666 USA. NR 45 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5632 EI 1873-3832 J9 NUCL PHYS B-PROC SUP JI Nucl. Phys. B-Proc. Suppl. PD NOV PY 2006 VL 161 BP 176 EP 184 DI 10.1016/j.nuclphysbps.2006.08.053 PG 9 WC Physics, Particles & Fields SC Physics GA 120VM UT WOS:000243114400025 ER PT J AU Vary, JP Chakrabarti, D Harindranath, A Lloyd, R Martinovic, L Spence, JR AF Vary, J. P. Chakrabarti, D. Harindranath, A. Lloyd, R. Martinovic, L. Spence, J. R. TI Coherent states and spontaneous symmetry breaking in light-front scalar field theory SO NUCLEAR PHYSICS B-PROCEEDINGS SUPPLEMENTS LA English DT Article; Proceedings Paper CT 8th Workshop on Light-Cone QCD and Nonperturbative Hadron Physics CY 2005 CL Cairns, AUSTRALIA ID RESONATING-GROUP METHOD; NUCLEI; QUANTIZATION; HADRONS; MODEL AB Recently developed nuclear many-body techniques provide novel results when applied to constituent quark models and to light-front scalar field theory. We show how spontaneous symmetry breaking arises and is consistent with a coherent state ansatz in a variational treatment. The kink and the kink-antikink topological features are identified and the onset of symmetry restoration is demonstrated. C1 Iowa State Univ, Ames, IA 50011 USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. Univ Florida, Gainesville, FL 32611 USA. Saha Inst Nucl Phys, Kolkata 700009, W Bengal, India. Arkansas State Univ, State Univ, AR 72467 USA. Slovak Acad Sci, Inst Phys, Bratislava 80936, Slovakia. RP Vary, JP (reprint author), Iowa State Univ, Ames, IA 50011 USA. NR 40 TC 1 Z9 1 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5632 EI 1873-3832 J9 NUCL PHYS B-PROC SUP JI Nucl. Phys. B-Proc. Suppl. PD NOV PY 2006 VL 161 BP 223 EP 229 DI 10.1016/j.nuclphysbps.2006.08.061 PG 7 WC Physics, Particles & Fields SC Physics GA 120VM UT WOS:000243114400032 ER PT J AU Weinstein, M AF Weinstein, Marvin TI Adaptive perturbation theory: quantum mechanics and field theory SO NUCLEAR PHYSICS B-PROCEEDINGS SUPPLEMENTS LA English DT Article; Proceedings Paper CT 8th Workshop on Light-Cone QCD and Nonperturbative Hadron Physics CY 2005 CL Cairns, AUSTRALIA ID ANHARMONIC-OSCILLATOR AB Adaptive perturbation is a new method for perturbatively computing the eigenvalues and eigenstates of quantum mechanical Hamiltonians that are widely believed not to be solvable by such methods. The novel feature of adaptive perturbation theory is that it decomposes a given Hamiltonian, H, into an unperturbed part and a perturbation in a way which extracts the leading non-perturbative behavior of the problem exactly. In this talk I will introduce the method in the context of the pure anharmonic oscillator and then apply it to the case of tunneling between symmetric minima. After that, I will show how this method can be applied to field theory. In that discussion I will show how one can non-perturbatively extract the structure of mass, wavefunction and coupling constant renormalization. C1 Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. RP Weinstein, M (reprint author), Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. NR 5 TC 1 Z9 1 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5632 J9 NUCL PHYS B-PROC SUP JI Nucl. Phys. B-Proc. Suppl. PD NOV PY 2006 VL 161 BP 238 EP 247 DI 10.1016/j.nuclphysbps.2006.08.059 PG 10 WC Physics, Particles & Fields SC Physics GA 120VM UT WOS:000243114400034 ER PT J AU Rochman, D Herman, M Oblozinsky, P Sin, M AF Rochman, D. Herman, M. Oblozinsky, P. Sin, M. TI Modeling and neutron-induced fission cross sections for americium SO NUCLEAR SCIENCE AND ENGINEERING LA English DT Article ID ACTINIDE NUCLEI; AM-241 AB Neutron-induced fission cross sections for eight americium isotopes (A = 239 to 244) are predicted with the nuclear reaction model code EMPIRE-219. The code incorporates advanced fission modeling, presented by describing the implementation of barrier penetration, transmission mechanism, and decay probabilities. The fission cross-section calculations for americium isotopes are compared to experimental data and evaluations from the ENDF/B-V1.8, JEFF-3.1, JENDL-3.3, orpreliminary ENDF/B-VII libraries when available. An analysis of the first and second fission barrier heights validates the existing systematic trend for odd and even neutron numbers. C1 Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA. Univ Bucharest, Bucharest 70709, Romania. RP Rochman, D (reprint author), Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA. EM drochman@bnl.gov OI Rochman, Dimitri/0000-0002-5089-7034 NR 63 TC 3 Z9 3 U1 0 U2 2 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 0029-5639 EI 1943-748X J9 NUCL SCI ENG JI Nucl. Sci. Eng. PD NOV PY 2006 VL 154 IS 3 BP 280 EP 293 PG 14 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 099LD UT WOS:000241595200002 ER PT J AU Pozzi, SA Pazsit, I AF Pozzi, Sara A. Pazsit, Imre TI Neutron slowing down in a detector with absorption SO NUCLEAR SCIENCE AND ENGINEERING LA English DT Article ID COLLISIONS; NUMBER AB In a recent paper, a simple analytical model to describe the statistics of the number of scattering collisions undergone by fast neutrons as they slow down until they are absorbed was presented. In that study, it was assumed that the moderator was infinite and homogeneous and accounted for scattering and absorption by a single nuclear species. In the present paper, that methodology is extended to the more realistic case of neutron slowing down in a homogeneous mixture. The formulas are derived and evaluated numerically, and the results are found to be in very good agreement with corresponding Monte Carlo simulations. The average value of the number of collisions that a neutron undergoes before being captured is computed. The results for a capture-gated detector composed of hydrogen, carbon, and boron are discussed. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Chalmers Univ Technol, Dept Nucl Engn, SE-41296 Gothenburg, Sweden. RP Pozzi, SA (reprint author), Oak Ridge Natl Lab, POB 2008,MS 6010, Oak Ridge, TN 37831 USA. EM pozzisa@ornl.gov NR 10 TC 4 Z9 4 U1 0 U2 0 PU AMER NUCLEAR SOCIETY PI LA GRANGE PK PA 555 N KENSINGTON AVENUE, LA GRANGE PK, IL 60526 USA SN 0029-5639 J9 NUCL SCI ENG JI Nucl. Sci. Eng. PD NOV PY 2006 VL 154 IS 3 BP 367 EP 373 PG 7 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 099LD UT WOS:000241595200008 ER PT J AU Scheffing, CC Jagannadham, K Yim, MS Bourham, MA Farmer, JC Haslam, JJ Day, SD Fix, DV Yang, NY AF Scheffing, C. C. Jagannadham, K. Yim, M. -S. Bourham, M. A. Farmer, J. C. Haslam, J. J. Day, S. D. Fix, D. V. Yang, N. Y. TI Properties of titanium-nitride for high-level waste packaging enhancement SO NUCLEAR TECHNOLOGY LA English DT Article DE HLW packaging; titanium-nitride coating; electro-chemical corrosion AB A feasibility study of applying titanium-nitride (TiN) coating onto waste package surfaces was performed as part of efforts to enhance the long-term performance of high-level waste packages. The hypothesis examined in the study is that a successful RN coating would provide an effective mass-transport barrier thus preventing corrosion. In the present work, single-layer TiN and multiple-layer TiN + Ti, TiN + Ti + TiN, and ZrO2 + TiN were deposited on Type 316L stainless steel substrates. The coated samples were tested for corrosion properties in different types of water using polarization and weight loss tests. Results of corrosion testing are presented and discussed. C1 N Carolina State Univ, Raleigh, NC 27695 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Sandia Natl Labs, Kirtland AFB, NM 87117 USA. RP Scheffing, CC (reprint author), N Carolina State Univ, 1110 Burlington Labs, Raleigh, NC 27695 USA. EM yim@ncsu.edu RI Jagannadham, Kasichainula/A-2953-2008; Yim, Man-Sung/G-2720-2011 NR 7 TC 4 Z9 4 U1 0 U2 2 PU AMER NUCLEAR SOCIETY PI LA GRANGE PK PA 555 N KENSINGTON AVENUE, LA GRANGE PK, IL 60526 USA SN 0029-5450 J9 NUCL TECHNOL JI Nucl. Technol. PD NOV PY 2006 VL 156 IS 2 BP 213 EP 221 PG 9 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 098ZP UT WOS:000241562600009 ER PT J AU Ivanov, I Chapados, BR McCammon, JA Tainer, JA AF Ivanov, Ivaylo Chapados, Brian R. McCammon, J. Andrew Tainer, John A. TI Proliferating cell nuclear antigen loaded onto double-stranded DNA: dynamics, minor groove interactions and functional implications SO NUCLEIC ACIDS RESEARCH LA English DT Article ID POLYMERASE PROCESSIVITY FACTOR; MOLECULAR-DYNAMICS; FLAP ENDONUCLEASE-1; HUMAN PCNA; REVERSE-TRANSCRIPTASE; REPLICATION FACTOR; CRYSTAL-STRUCTURE; STRUCTURAL BASIS; BINDING; REPAIR AB Proliferating cell nuclear antigen (PCNA) acts as a biologically essential processivity factor that encircles DNA and provides binding sites for polymerase, flap endonuclease-1 (FEN-1) and ligase during DNA replication and repair. We have computationally characterized the interactions of human and Archaeoglobus fulgidus PCNA trimer with double-stranded DNA (ds DNA) using multi-nanosecond classical molecular dynamics simulations. The results reveal the interactions of DNA passing through the PCNA trimeric ring including the contacts formed, overall orientation and motion with respect to the sliding clamp. Notably, we observe pronounced tilting of the axis of dsDNA with respect to the PCNA ring plane reflecting interactions between the DNA phosphodiester backbone and positively charged arginine and lysine residues lining the PCNA inner surface. Covariance matrix analysis revealed a pattern of correlated motions within and between the three equivalent subunits involving the PCNA C-terminal region and linker strand associated with partner protein binding sites. Additionally, principal component analysis identified low frequency global PCNA subunit motions suitable for translocation along duplex DNA. The PCNA motions and interactions with the DNA minor groove, identified here computationally, provide an unexpected basis for PCNA to act in the coordinated handoff of intermediates from polymerase to FEN-1 to ligase during DNA replication and repair. C1 Univ Calif San Diego, Dept Chem & Biochem, Dept Pharmacol, Howard Hughes Med Inst, La Jolla, CA 92093 USA. Univ Calif San Diego, Ctr Theoret Biol Phys, La Jolla, CA 92093 USA. Scripps Res Inst, Dept Biol Mol, La Jolla, CA 92037 USA. Scripps Res Inst, Skaggs Inst Chem Biol, La Jolla, CA 92037 USA. Lawrence Berkeley Natl Lab, Life Sci Div, Dept Biol Mol, Berkeley, CA 94720 USA. RP Ivanov, I (reprint author), Univ Calif San Diego, Dept Chem & Biochem, Dept Pharmacol, Howard Hughes Med Inst, 9500 Gilman Dr, La Jolla, CA 92093 USA. EM iivanov@mccammon.ucsd.edu; jat@scripps.edu RI Ivanov, Ivaylo/A-7613-2013 OI Ivanov, Ivaylo/0000-0002-5306-1005 FU NCI NIH HHS [CA081967, CA92584, P01 CA092584, R01 CA081967] NR 37 TC 46 Z9 46 U1 1 U2 7 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0305-1048 J9 NUCLEIC ACIDS RES JI Nucleic Acids Res. PD NOV PY 2006 VL 34 IS 20 BP 6023 EP 6033 DI 10.1093/nar/gkl744 PG 11 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 111SM UT WOS:000242474800035 PM 17071716 ER PT J AU Gowda, M Li, HM Alessi, J Chen, F Pratt, R Wang, GL AF Gowda, Malali Li, Haumeng Alessi, Joe Chen, Feng Pratt, Richard Wang, Guo-Liang TI Robust analysis of 5 '-transcript ends (5 '-RATE): a novel technique for transcriptome analysis and genome annotation SO NUCLEIC ACIDS RESEARCH LA English DT Article ID GENE-EXPRESSION ANALYSIS; LATE MESSENGER-RNAS; 5' POLY(A) LEADER; FUNCTIONAL ANNOTATION; CDNA COLLECTION; SERIAL ANALYSIS; START SITES; SAGE TAGS; SEQUENCE; IDENTIFICATION AB Complicated cloning procedures and the high cost of sequencing have inhibited the wide application of serial analysis of gene expression and massively parallel signature sequencing for genome-wide transcriptome profiling of complex genomes. Here we describe a new method called robust analysis of 5'-transcript ends (5'-RATE) for rapid and cost-effective isolation of long 5' transcript ends (similar to 80 bp). It consists of three major steps including 5'-oligocapping of mRNA, NlaIII tag and ditag generation, and pyrosequencing of NlaIII tags. Complicated steps, such as purification and cloning of concatemers, colony picking and plasmid DNA purification, are eliminated and the conventional Sanger sequencing method is replaced with the newly developed pyrosequencing method. Sequence analysis of a maize 5'-RATE library revealed complex alternative transcription start sites and a 5' poly(A) tail in maize transcripts. Our results demonstrate that 5'-RATE is a simple, fast and cost-effective method for transcriptome analysis and genome annotation of complex genomes. C1 Ohio State Univ, Dept Plant Pathol, Columbus, OH 43210 USA. US DOE, Joint Genome Inst, Walnut Creek, CA 94598 USA. Ohio State Univ, Ohio Agr Res & Dev Ctr, Dept Hort & Crop Sci, Wooster, OH 44691 USA. RP Wang, GL (reprint author), Ohio State Univ, Dept Plant Pathol, Columbus, OH 43210 USA. EM wang.620@osu.edu NR 46 TC 1 Z9 1 U1 1 U2 2 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0305-1048 J9 NUCLEIC ACIDS RES JI Nucleic Acids Res. PD NOV PY 2006 VL 34 IS 19 DI 10.1093/nar/gkl522 PG 9 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 104JR UT WOS:000241955200001 ER PT J AU Kiss, C Fisher, H Pesavento, E Dai, MH Valero, R Ovecka, M Nolan, R Phipps, ML Velappan, N Chasteen, L Martinez, JS Waldo, GS Pavlik, P Bradbury, ARM AF Kiss, Csaba Fisher, Hugh Pesavento, Emanuele Dai, Minghua Valero, Rosa Ovecka, Milan Nolan, Rhiannon Phipps, M. Lisa Velappan, Nileena Chasteen, Leslie Martinez, Jennifer S. Waldo, Geoffrey S. Pavlik, Peter Bradbury, Andrew R. M. TI Antibody binding loop insertions as diversity elements SO NUCLEIC ACIDS RESEARCH LA English DT Article ID GREEN FLUORESCENT PROTEIN; ANKYRIN REPEAT PROTEIN; CONFORMATIONAL DIVERSITY; COMBINATORIAL LIBRARIES; HYPERVARIABLE REGIONS; MOLECULAR RECOGNITION; MONOCLONAL-ANTIBODY; CRYSTAL-STRUCTURE; SELECTION; DOMAIN AB In the use of non-antibody proteins as affinity reagents, diversity has generally been derived from oligonucleotide-encoded random amino acids. Although specific binders of high-affinity have been selected from such libraries, random oligonucleotides often encode stop codons and amino acid combinations that affect protein folding. Recently it has been shown that specific antibody binding loops grafted into heterologous proteins can confer the specific antibody binding activity to the created chimeric protein. In this paper, we examine the use of such antibody binding loops as diversity elements. We first show that we are able to graft a lysozyme-binding antibody loop into green fluorescent protein (GFP), creating a fluorescent protein with lysozyme-binding activity. Subsequently we have developed a PCR method to harvest random binding loops from antibodies and insert them at predefined sites in any protein, using GFP as an example. The majority of such GFP chimeras remain fluorescent, indicating that binding loops do not disrupt folding. This method can be adapted to the creation of other nucleic acid libraries where diversity is flanked by regions of relative sequence conservation, and its availability sets the stage for the use of antibody loop libraries as diversity elements for selection experiments. C1 Los Alamos Natl Lab, HCDR3s Divers Elements, Los Alamos, NM USA. RP Bradbury, ARM (reprint author), Los Alamos Natl Lab, HCDR3s Divers Elements, POB 1663, Los Alamos, NM USA. EM amb@lanl.gov OI Velappan, Nileena/0000-0002-4488-9126; Bradbury, Andrew/0000-0002-5567-8172 NR 74 TC 20 Z9 21 U1 0 U2 8 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0305-1048 EI 1362-4962 J9 NUCLEIC ACIDS RES JI Nucleic Acids Res. PD NOV PY 2006 VL 34 IS 19 AR e132 DI 10.1093/nar/gkl681 PG 15 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 104JR UT WOS:000241955200007 PM 17023486 ER PT J AU Dobrev, VA Lazarov, RD Vassilevski, PS Zikatanov, LT AF Dobrev, Veselin A. Lazarov, Raytcho D. Vassilevski, Panayot S. Zikatanov, Ludmil T. TI Two-level preconditioning of discontinuous Galerkin approximations of second-order elliptic equations SO NUMERICAL LINEAR ALGEBRA WITH APPLICATIONS LA English DT Article DE preconditioning; two-level; discontinuous Galerkin; second-order elliptic problem; multilevel ID FINITE-ELEMENT-METHOD; CONVERGENCE; SYSTEMS AB This paper reviews some known and proposes some new preconditioning methods for a number of discontinuous Galerkin (or DG) finite element approximations for elliptic problems of second order. Nested hierarchy of meshes is generally assumed. Our approach utilizes a general two-level scheme, where the finite element space for the DG method is decomposed into a subspace (viewed as an auxiliary or 'coarse' space), plus a correction which can be handled by a standard smoothing procedure. We consider three different auxiliary subspaces, namely, piecewise linear C-0-conforming functions, piecewise linear functions that are continuous at the centroids of the edges/faces (Crouzeix-Raviart finite elements) and piecewise constant functions over the finite elements. To support the theoretical results, we also present numerical experiments for 3-D model problem showing uniform convergence of the constructed methods. Copyright (C) 2006 John Wiley & Sons, Ltd. C1 Texas A&M Univ, Dept Math, College Stn, TX 77843 USA. Bulgarian Acad Sci, Inst Math & Informat, Sofia, Bulgaria. Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. Penn State Univ, Dept Math, University Pk, PA 16802 USA. RP Lazarov, RD (reprint author), Texas A&M Univ, Dept Math, College Stn, TX 77843 USA. EM dobrev@math.tamu.edu; lazarov@math.tamu.edu; panayot@llnl.gov; ludmil@psu.edu RI Zikatanov, Ludmil/F-9365-2010; Lazarov, Raytcho/B-8395-2015 OI Zikatanov, Ludmil/0000-0002-5189-4230; Lazarov, Raytcho/0000-0002-4911-3685 NR 27 TC 35 Z9 35 U1 0 U2 1 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 1070-5325 J9 NUMER LINEAR ALGEBR JI Numer. Linear Algebr. Appl. PD NOV PY 2006 VL 13 IS 9 BP 753 EP 770 DI 10.1002/nla.504 PG 18 WC Mathematics, Applied; Mathematics SC Mathematics GA 104KS UT WOS:000241957900006 ER PT J AU Kolev, TV Vassilevski, PS AF Kolev, Tzanio V. Vassilevski, Panayot S. TI AMG by element agglomeration and constrained energy minimization interpolation SO NUMERICAL LINEAR ALGEBRA WITH APPLICATIONS LA English DT Article DE vector preserving interpolation; minimal energy interpolation; element agglomeration; algebraic multigrid ID SMOOTHED AGGREGATION AB This paper studies AMG (algebraic multigrid) methods that utilize energy minimization construction of the interpolation matrices locally, in the setting of element agglomeration AMG. The coarsening in element agglomeration AMG is done by agglomerating fine-grid elements, with coarse element matrices defined by a local Galerkin procedure applied to the matrix assembled from the individual fine-grid element matrices. This local Galerkin procedure involves only the coarse basis restricted to the agglomerated element. To construct the coarse basis, one exploits previously proposed constraint energy minimization procedures now applied to the local matrix. The constraints are that a given set of vectors should be interpolated exactly, not only globally, but also locally on every agglomerated element. The paper provides algorithmic details, as well as a convergence result based on a 'local-to-global' energy bound of the resulting multiple-vector fitting AMG interpolation mappings. A particular implementation of the method is illustrated with a set of numerical experiments. Copyright (C) 2006 John Wiley & Sons, Ltd. C1 Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. RP Kolev, TV (reprint author), Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, POB 808,L-560, Livermore, CA 94551 USA. EM tzanio@llnl.gov; panayot@llnl.gov NR 19 TC 9 Z9 10 U1 0 U2 1 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 1070-5325 J9 NUMER LINEAR ALGEBR JI Numer. Linear Algebr. Appl. PD NOV PY 2006 VL 13 IS 9 BP 771 EP 788 DI 10.1002/nla.494 PG 18 WC Mathematics, Applied; Mathematics SC Mathematics GA 104KS UT WOS:000241957900007 ER PT J AU Williams, PT Thompson, PD AF Williams, Paul T. Thompson, Paul D. TI Dose-dependent effects of training and detraining on weight in 6406 runners during 7.4 years SO OBESITY LA English DT Article DE exercise; running; BMI; regional adiposity; waist circumference ID MIDDLE-AGED MEN; PHYSICAL-ACTIVITY; OVERWEIGHT MEN; BODY-COMPOSITION; WALKING PROGRAM; ABDOMINAL FAT; HEART-DISEASE; PLASMA-LIPIDS; EXERCISE; WOMEN AB Objective: Prior randomized and non-randomized training studies have failed to establish a dose-response relationship between vigorous exercise and weight loss; this failure may be due, in part, to their short durations and small sample sizes. The objectives of this study were to determine whether exercise reduces body weight and to examine the dose-response relationships between changes in exercise and changes in total and regional adiposity. Research Methods and Procedures: This was a large prospective study of 3973 men and 1444 women who quit running (detraining), 270 men and 146 women who started running (training), and 420 men and 153 women who remained sedentary during 7.4 years of follow-up. The outcomes measured were weekly running distance, body weight, BMI, body circumferences, and bra cup size. Results: There were significant inverse relationships between the changes in the amount of vigorous exercise (km/wk run) and the changes in weight and BMI in men (slope standard error: -0.039 +/- 0.005 kg/km per week and -0.012 +/- 0.002 kg/m(2) per km/wk, respectively) and in older women (-0.060 +/- 0.018 kg/km per week and -0.022 +/- 0.007 kg/m(2) per km/wk) who quit running, and in initially sedentary men (-0.098 +/- 0.017 kg/km per week and -0.032 +/- 0.005 kg/m(2) per km/wk) and women (-0.062 +/- 0.023 kg/km per week and -0.021 +/- 0.008 kg/m(2) per km/wk) who started running. Changes in waist circumference, an indicator of intra-abdominal fat, were also inversely related to changes in running distance in men who quit (-0.026 +/- 0.005 cm/km per week) or started running (-0.078 +/- 0.017 cm/km per week). Discussion: The initiation of vigorous exercise and its cessation decrease and increase, respectively, body weight and intra-abdominal fat, and these changes are proportional to the change in exercise dose. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Donner Lab, Berkeley, CA 94720 USA. Hartford Hosp, Prevent Cardiol Program, Hartford, CT 06115 USA. RP Williams, PT (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Donner Lab, Berkeley, CA 94720 USA. EM ptwilliams@lbl.gov FU NHLBI NIH HHS [HL-45652, HL-72110]; NIDDK NIH HHS [DK066738] NR 40 TC 22 Z9 24 U1 1 U2 3 PU NORTH AMER ASSOC STUDY OBESITY PI SILVER SPRING PA 8630 FENTON ST, SUITE 918, SILVER SPRING, MD 20910 USA SN 1930-7381 J9 OBESITY JI Obesity PD NOV PY 2006 VL 14 IS 11 BP 1975 EP 1984 DI 10.1038/oby.2006.231 PG 10 WC Endocrinology & Metabolism; Nutrition & Dietetics SC Endocrinology & Metabolism; Nutrition & Dietetics GA 212OG UT WOS:000249606100017 PM 17135614 ER PT J AU Silva, EN Ayala, AP Guedes, I Paschoal, CWA Moreira, RL Loong, CK Boatner, LA AF Silva, E. N. Ayala, A. P. Guedes, I. Paschoal, C. W. A. Moreira, R. L. Loong, C. -K. Boatner, L. A. TI Vibrational spectra of monazite-type rare-earth orthophosphates SO OPTICAL MATERIALS LA English DT Article DE RPO4; Raman scattering; infrared spectroscopy; monazite ID RAMAN-SPECTRA; LANTHANIDE ORTHOPHOSPHATES; PHOSPHATES AB The room-temperature vibrational spectra of the monazite-type rare-earth orthophosphates (RPO4, R = La, Ce, Pr, Nd, Sm, Eu. and Gd) have been investigated using polarized Raman and infrared spectroscopies. As in the case of the previously reported Raman results, we also observe 22 peaks, while only 18 A(g)/B-g vibrations are predicted by group theoretical analysis. Through a careful review of the combined Raman-IR modes, in conjunction with the measured generalized phonon density of states of LaPO4 by neutron spectroscopy and a comparison with the corresponding data for the xenotime RPO4 members, we have obtained a self-consistent assignment of the Raman and IR modes. We also discuss on the possible origins of the previously unidentified "extra" peaks. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Fed Ceara, Dept Fis, BR-60455970 Fortaleza, Ceara, Brazil. Univ Fed maranhao, CCET, Dept Fis, BR-65085580 Maranhao, Brazil. Univ Fed Minas Gerais, ICEx, Dept Fis, BR-30123970 Belo Horizonte, MG, Brazil. Argonne Natl Lab, Div Intense Pulsed Neutron Source, Argonne, IL 60439 USA. Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. RP Guedes, I (reprint author), Univ Fed Ceara, Dept Fis, Caixa Postal 6030, BR-60455970 Fortaleza, Ceara, Brazil. EM guedes@fisica.ufc.br RI Silva, Eder/H-3653-2012; Moreira, Roberto/B-8568-2013; GUEDES, ILDE/C-3451-2013; Paschoal, William/A-5779-2013; Boatner, Lynn/I-6428-2013; UFC, DF/E-1564-2017; Ayala, Alejandro/A-7518-2008; Universidade Federal do Ceara, Physics Department/J-4630-2016; OI Paschoal, William/0000-0001-9055-387X; Boatner, Lynn/0000-0002-0235-7594; Ayala, Alejandro/0000-0002-9247-6780; Universidade Federal do Ceara, Physics Department/0000-0002-9247-6780; GUEDES, ILDE/0000-0002-1040-5891 NR 17 TC 54 Z9 59 U1 6 U2 35 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0925-3467 J9 OPT MATER JI Opt. Mater. PD NOV PY 2006 VL 29 IS 2-3 BP 224 EP 230 DI 10.1016/j.optmat.2005.09.001 PG 7 WC Materials Science, Multidisciplinary; Optics SC Materials Science; Optics GA 103OS UT WOS:000241897200012 ER PT J AU Negres, RA Zaitseva, NP DeMange, P Demos, SG AF Negres, R. A. Zaitseva, N. P. DeMange, P. Demos, S. G. TI Expedited laser damage profiling of KDxH2-xPO4 with respect to crystal growth parameters SO OPTICS LETTERS LA English DT Article ID KDP CRYSTALS AB We investigate the laser-induced damage resistance at 355 nm in deuterated potassium dihydrogen phosphate (DKDP) crystals grown with varying growth parameters, including speed of growth and temperature. The aim is to explore a new expedited method to study the growth parameters affecting the laser-induced damage resistance in DKDP material to obtain crystals with enhanced performance. (c) 2006 Optical Society of America. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Negres, RA (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94551 USA. EM negres2@llnl.gov NR 14 TC 14 Z9 14 U1 2 U2 8 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 0146-9592 J9 OPT LETT JI Opt. Lett. PD NOV 1 PY 2006 VL 31 IS 21 BP 3110 EP 3112 DI 10.1364/OL.31.003110 PG 3 WC Optics SC Optics GA 097PV UT WOS:000241461300012 PM 17041651 ER PT J AU Xiao, XH de Jonge, MD Zhong, YC Chu, YS Shen, Q AF Xiao, Xianghui de Jonge, Martin D. Zhong, Yuncheng Chu, Yong S. Shen, Qun TI Crystal optics as guard apertures for coherent x-ray diffraction imaging SO OPTICS LETTERS LA English DT Article ID ALGORITHMS AB A crucial issue in coherent x-ray diffraction imaging experiments is how to increase the signal-to-noise ratio when measuring relatively weak diffraction intensities from a nonperiodic object. A novel crystal guard aperture is described that makes use of a pair of multiple-bounce crystal optics to eliminate unwanted parasitic scattering background. This background is often produced by upstream optical elements such as a coherent-beam defining aperture. Recent experimental observation and theoretical analysis confirm the effectiveness of the crystal guard aperture method with coherence-preserved wave propagation through the crystal guard aperture and dramatically reduced scattering background in coherent x-ray diffraction images. (c) 2006 Optical Society of America. C1 Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Xiao, XH (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. EM xhxiao@aps.anl.gov RI de Jonge, Martin/C-3400-2011 NR 16 TC 3 Z9 3 U1 0 U2 2 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 0146-9592 J9 OPT LETT JI Opt. Lett. PD NOV 1 PY 2006 VL 31 IS 21 BP 3194 EP 3196 DI 10.1364/OL.31.003194 PG 3 WC Optics SC Optics GA 097PV UT WOS:000241461300040 PM 17041679 ER PT J AU Jennett, NM Pharr, GM McHargue, CJ AF Jennett, Nigel M. Pharr, George M. McHargue, Carl J. TI Instrumented indentation testing in materials research and development SO PHILOSOPHICAL MAGAZINE LA English DT Editorial Material C1 Natl Phys Lab, Teddington TW11 0LW, Middx, England. Univ Tennessee, Knoxville, TN USA. Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Jennett, NM (reprint author), Natl Phys Lab, Teddington TW11 0LW, Middx, England. OI Jennett, Nigel/0000-0003-1062-6026 NR 1 TC 2 Z9 2 U1 0 U2 2 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PD NOV-DEC PY 2006 VL 86 IS 33-35 BP 5153 EP 5154 DI 10.1080/14786430600955199 PG 2 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 085FQ UT WOS:000240589400001 ER PT J AU Strader, JH Shim, S Bei, H Oliver, WC Pharry, GM AF Strader, J. H. Shim, S. Bei, H. Oliver, W. C. Pharry, G. M. TI An experimental evaluation of the constant ss relating the contact stiffness to the contact area in nanoindentation SO PHILOSOPHICAL MAGAZINE LA English DT Article; Proceedings Paper CT Conference on Instrumented Indentation Testing in Materials Research and Development CY OCT 07-14, 2005 CL Iraklion, GREECE ID INDENTATION EXPERIMENTS; CONICAL INDENTATION; ELASTIC-MODULUS; PLASTIC SOLIDS AB Measurements of mechanical properties by nanoindentation with triangular pyramidal indenters like the Berkovich rely heavily upon the relationship between the contact stiffness, S, the contact area, A, and the reduced elastic modulus, E-r. This relationship is often written in the form S = 2 beta E-r(A/pi)(1/2), where beta is a constant that depends on the geometry of the indenter. Although the most common values for beta used in experimental measurements are 1.000 and 1.034, various theoretical analyses have yielded values as small as 1.00 or as large as 1.20, depending on the assumptions made to model the deformation. Here, the most appropriate value of beta is explored by performing careful experiments in fused quartz with thin gold coatings applied to the surface to reveal the actual contact area when observed in the scanning electron microscope. Experiments were performed not only with the Berkovich indenter, but with five other three-sided pyramidal indenters with centreline-to-face angles ranging from 35.3 degrees ( cube corner) to 85.0 degrees. The results are important in the accurate measurement of mechanical properties by nanoindentation. C1 Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. MTS Syst Corp, Nano Instrument Innovat Ctr, Oak Ridge, TN 37830 USA. Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. RP Strader, JH (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM tempest.nano@gmail.com NR 12 TC 24 Z9 24 U1 1 U2 14 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PD NOV-DEC PY 2006 VL 86 IS 33-35 BP 5285 EP 5298 DI 10.1080/14786430600567747 PG 14 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 085FQ UT WOS:000240589400010 ER PT J AU Herbert, EG Oliver, WC Pharr, GM AF Herbert, E. G. Oliver, W. C. Pharr, G. M. TI On the measurement of yield strength by spherical indentation SO PHILOSOPHICAL MAGAZINE LA English DT Article; Proceedings Paper CT Conference on Instrumented Indentation Testing in Materials Research and Development CY OCT 07-14, 2005 CL Iraklion, GREECE ID HARDNESS AB Over the past 10 years, a number of investigators have proposed methods to measure the yield strength of metals using instrumented indentation experiments performed with a sphere [Ma et al., J. Appl. Phys. 94 288 (2003); Cao and Lu, Acta Mater. 52 4023 (2004); Yu and Blanchard, J. Mater. Res. 11 2358 (1996); Field and Swain, J. Mater. Res. 10 101 (1995)]. Most of these proposed methods have yet to be rigorously verified experimentally. The objective of this work is to contribute to experimental verification by testing four contemporary models against their ability to accurately determine the yield strength of the aluminium alloy 6061-T6 using the smallest sphere commercially available. The four models selected for this review are those in the references mentioned above. The tensile and indentation samples were taken from the same 3.175-mm thick sheet and the surface of the indentation sample was given the best possible mechanical polishing. The indentation experiments were performed using a 90 degrees diamond cone with a mechanically polished radius of 385 nm. The procedures proposed by Ma et al. and Cao and Lu were inconsistent with experimental observations and could not be implemented. Yu and Blanchard's model overestimated the yield strength by approximately 55%. Field and Swain's procedure overestimated the tensile flow curve by roughly 40%, which precluded obtaining a meaningful estimate of the yield strength. Among the most likely explanations for these surprisingly poor results are the effects of roughness and contaminants on the surface, and the possibility of an indentation size effect. C1 Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. MTS Nanoinstruments Innovat Ctr, Oak Ridge, TN 37830 USA. Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN USA. RP Herbert, EG (reprint author), Univ Tennessee, Dept Mat Sci & Engn, 434 Dougherty Engn Bldg, Knoxville, TN 37996 USA. EM erik.herbert@mts.com NR 11 TC 32 Z9 33 U1 1 U2 26 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PD NOV-DEC PY 2006 VL 86 IS 33-35 BP 5521 EP 5539 DI 10.1080/14786430600825103 PG 19 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 085FQ UT WOS:000240589400029 ER PT J AU Yun, G Hwang, KC Huang, Y Wu, PD Liu, C AF Yun, G. Hwang, K. C. Huang, Y. Wu, P. D. Liu, C. TI Size effect in tension of thin films on substrate: a study based on the reformulation of mechanism-based strain gradient plasticity SO PHILOSOPHICAL MAGAZINE LA English DT Article; Proceedings Paper CT Conference on Instrumented Indentation Testing in Materials Research and Development CY OCT 07-14, 2005 CL Iraklion, GREECE ID FINITE DEFORMATION-THEORY; CRACK-TIP FIELD; CONVENTIONAL THEORY; SINGLE-CRYSTALS; INDENTATION EXPERIMENTS; NONLOCAL THEORY; FRACTURE; DISLOCATION; ENERGY; MICROINDENTATION AB We have used the type-II strain gradient plasticity theory, based on the Taylor dislocation model, to study the size effect in uniaxial tension experiments of a copper thin film on a Kapton substrate. There are two contributing mechanisms to the size effect in uniaxial tension of thin film on substrate. One is the strain gradient effect associated with the higher-order boundary condition, and the other is the substrate constraint effect on the yield stress. It is shown that the latter dominates the contribution to the size effect in uniaxial tension of thin film on substrate. C1 Tsinghua Univ, FML, Dept Mech Engn, Beijing 100084, Peoples R China. Univ Illinois, Dept Mech & Ind Engn, Urbana, IL 61801 USA. McMaster Univ, Dept Mech Engn, Hamilton, ON L8S 4L7, Canada. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Huang, Y (reprint author), Tsinghua Univ, FML, Dept Mech Engn, Beijing 100084, Peoples R China. EM huang9@uiuc.edu RI Wu, Peidong/A-7009-2008; HWANG, Keh-Chih/A-9989-2014; Huang, Yonggang/B-6998-2009 NR 60 TC 4 Z9 4 U1 0 U2 3 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 1478-6435 EI 1478-6443 J9 PHILOS MAG JI Philos. Mag. PD NOV-DEC PY 2006 VL 86 IS 33-35 BP 5553 EP 5566 DI 10.1080/14786430600577928 PG 14 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 085FQ UT WOS:000240589400031 ER PT J AU Farrell, HH LaViolette, RA Lillo, TM AF Farrell, H. H. LaViolette, Randall A. Lillo, T. M. TI Diatomic substitutionals in superconducting Nb(1-x)B2 SO PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS LA English DT Article DE superconductivity; superconductivity transition temperature variations; superconducting materials; superconducting electronic structure; superconducting phonons ID MGB2 THIN-FILMS; BASIC PHYSICAL-PROPERTIES; CRITICAL-CURRENT DENSITY; MAGNESIUM DIBORIDE; ELECTRON-GAS; DEPOSITION; SCATTERING; MOLECULES; FIELDS; ENERGY AB Using first-principles, density functional theory calculations, we have shown that the increase in superconducting critical temperature to above 9 K experimentally observed for B-rich, off-stoichiometry NbB2 material is associated with the formation of B-dimers on Nb sites rather than with the formation of Nb vacancies, as previously proposed. Our calculations show that certain of these B-dimer configurations have lower binding energies than do the vacancy structures. This result is pressure independent in the range between 0 and 10 GPa, and above. Further, the dimer-containing materials have a higher electronic density of states at the Fermi level than do the vacancy structures. Finally, the presence of B-dimers results in the splitting on of phonon normal modes. These last two factors are relevant to the improved superconducting properties. (c) 2006 Published by Elsevier B.V. C1 Idaho Natl Lab, Dept Mat Sci, Idaho Falls, ID 83415 USA. RP Farrell, HH (reprint author), Idaho Natl Lab, Dept Mat Sci, 2525 N Freemont Ave,MS-2211,POB 1625, Idaho Falls, ID 83415 USA. EM Helen.Farrell@inl.gov RI Lilllo, Thomas/S-5031-2016 OI Lilllo, Thomas/0000-0002-7572-7883 NR 50 TC 7 Z9 7 U1 2 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4534 J9 PHYSICA C JI Physica C PD NOV 1 PY 2006 VL 449 IS 1 BP 1 EP 8 DI 10.1016/j.physc.2006.05.104 PG 8 WC Physics, Applied SC Physics GA 088YY UT WOS:000240848200001 ER PT J AU Eyink, GL Aluie, H AF Eyink, Gregory L. Aluie, Hussein TI The breakdown of Alfven's theorem in ideal plasma flows: Necessary conditions and physical conjectures SO PHYSICA D-NONLINEAR PHENOMENA LA English DT Article DE ideal magnetohydrodynamics; line motion; singularities; reconnection ID ENERGY-DISSIPATION RATE; 3-DIMENSIONAL MAGNETOHYDRODYNAMIC TURBULENCE; GENERAL MAGNETIC RECONNECTION; STAR-FORMATION; SUPERCONDUCTING WIRES; RENORMALIZATION GROUP; FIELD LINES; DYNAMICS; DISPERSION; GEOMETRY AB This paper presents both rigorous results and physical theory on the breakdown of magnetic flux conservation for ideal plasmas by nonlinear effects. Our analysis is based upon an effective equation for magnetohydrodynamic (MHD) modes at length scales > l, with smaller scales eliminated, as in renormalization-group methodology. We prove that flux conservation can be violated at an instant of time for an arbitrarily small length scale l, and in the absence of any nonideality, but only if at least one of three necessary conditions is satisfied. These conditions are (i) nonrectifiability of advected loops, (ii) unbounded velocity or magnetic fields, (iii) singular current sheets and vortex sheets that both exist and intersect in sets of large enough dimension. This result gives analytical support to and figorous constraints on theories of fast turbulent reconnection. Mathematically, our theorem is analogous to Onsager's result on energy dissipation anomaly in hydrodynamic turbulence. As a physical phenomenon, the breakdown of magnetic flux conservation in ideal MHD is similar to the decay of magnetic flux through a narrow superconducting ring, by phase-slip of quantized flux lines. The effect should be observable both in numerical MHD simulations and in laboratory plasma experiments at moderately high magnetic Reynolds numbers. (c) 2006 Elsevier B.V. All rights reserved. C1 Johns Hopkins Univ, Dept Appl Math & Stat, Baltimore, MD 21218 USA. Los Alamos Natl Lab, Ctr Nonlinear Sci, Los Alamos, NM 87545 USA. RP Eyink, GL (reprint author), Johns Hopkins Univ, Dept Appl Math & Stat, 3400 N Charles St, Baltimore, MD 21218 USA. EM eyink@ams.jhu.edu RI Aluie, Hussein/D-6321-2011 NR 94 TC 25 Z9 25 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-2789 J9 PHYSICA D JI Physica D PD NOV 1 PY 2006 VL 223 IS 1 BP 82 EP 92 DI 10.1016/j.physd.2006.08.009 PG 11 WC Mathematics, Applied; Physics, Multidisciplinary; Physics, Mathematical SC Mathematics; Physics GA 107DS UT WOS:000242151500007 ER PT J AU Ager, JW Haller, EE AF Ager, Joel W., III Haller, Eugene E. TI Isotopically engineered semiconductors: from the bulk to nanostructures SO PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE LA English DT Article ID SI/SIGE SUPERLATTICE NANOWIRES; SINGLE-ION IMPLANTATION; THERMAL-CONDUCTIVITY; QUANTUM COMPUTER; NUCLEAR-SPIN; SILICON; GERMANIUM; RESONANCE; PHONONS; DONORS AB Research performed with semiconductors with controlled isotopic composition is evolving from the measurement of fundamental properties in the bulk to those measured in superlattices and nanostructures. This is driven in part by interests associated with the fields of "spintronics" and quantum computing. In this topical review, which is dedicated to Prof. Abstreiter, we introduce the subject by reviewing classic and recent measurements of phonon frequencies, thermal conductivity, bandgap renormalizations, and spin coherence lifetimes in isotopically controlled bulk group IV semiconductors. Next, we review phonon properties measured in isotope heterostructures, including pioneering work made possible by superlattices grown by the group of Prof Abstreiter. We close the review with an outlook on the exciting future possibilities offered through isotope control in 1, 2, and 3 dimensions that will be possible due to advances in nanoscience. (c) 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. C1 Lawrence Berkeley Lab, Elect Mat Program, Div Sci Mat, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Haller, EE (reprint author), Lawrence Berkeley Lab, Elect Mat Program, Div Sci Mat, Berkeley, CA 94720 USA. EM EEHaller@lbl.gov OI Ager, Joel/0000-0001-9334-9751 NR 47 TC 14 Z9 14 U1 0 U2 5 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1862-6300 J9 PHYS STATUS SOLIDI A JI Phys. Status Solidi A-Appl. Mat. PD NOV PY 2006 VL 203 IS 14 BP 3550 EP 3558 DI 10.1002/pssa.200622390 PG 9 WC Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 112OP UT WOS:000242536100020 ER PT J AU Jorio, A Araujo, PT Doorn, SK Maruyama, S Chacham, H Pimenta, MA AF Jorio, Ado Araujo, Paulo T. Doorn, Stephen K. Maruyama, Shigeo Chacham, Helio Pimenta, Marcos A. TI The Kataura plot over broad energy and diameter ranges SO PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS LA English DT Article; Proceedings Paper CT 20th International Winterschool/Euroconference on Electronic Properties of Novel Materials CY MAR 04-11, 2006 CL Kirchberg, AUSTRIA ID WALLED CARBON NANOTUBES AB The theoretical plot presenting the optical transition energies for carbon nanotubes as a function of tube diameter was proposed in 1999 and became the most used guide for researchers in the field. This work presents this plot obtained experimentally in a broad range of excitation laser energies (1.26-2.7 eV) and nanotube diameters (0.7-2.3 nm). The results include the poorly studied E(33)(S) and E(44)(S) optical transitions, and indicate the higher levels are not excitonic, but related to free electron-holes making hand-to-hand transitions. (c) 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. C1 Univ Fed Minas Gerais, Dept Fis, BR-30123970 Belo Horizonte, MG, Brazil. Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. Univ Tokyo, Dept Mech Engn, Tokyo 1138656, Japan. RP Jorio, A (reprint author), Univ Fed Minas Gerais, Dept Fis, BR-30123970 Belo Horizonte, MG, Brazil. EM adojorio@fisica.ufmg.br RI Pimenta, Marcos/F-2122-2010; Maruyama, Shigeo/B-1848-2008; Jorio, Ado/F-2141-2010 OI Jorio, Ado/0000-0002-5978-2735 NR 20 TC 26 Z9 26 U1 1 U2 13 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0370-1972 J9 PHYS STATUS SOLIDI B JI Phys. Status Solidi B-Basic Solid State Phys. PD NOV PY 2006 VL 243 IS 13 BP 3117 EP 3121 DI 10.1002/pssb.200669192 PG 5 WC Physics, Condensed Matter SC Physics GA 107QV UT WOS:000242187000033 ER PT J AU Luo, ZT Doorn, SK Li, R Papadimitrakopoulos, F AF Luo, Zhengtang Doorn, Stephen K. Li, Rongfu Papadimitrakopoulos, Fotios TI Effects of aggregation and electron-phonon interactions on RBM spectral reconstruction of single walled carbon nanotubes SO PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS LA English DT Article; Proceedings Paper CT 20th International Winterschool/Euroconference on Electronic Properties of Novel Materials CY MAR 04-11, 2006 CL Kirchberg, AUSTRIA ID HIPCO PROCESS AB We present a methodology to reconstruct the radial breathing mode (RBM) region of the resonance Raman spectra of single walled carbon nanotubes (SWNTs) in isolated and aggregated states. This methodology takes into account the experimentally determined electron-phonon matrix elements (M(ph)) along with an energetic deviation term (Delta E). In the case of isolated SWNTs, Delta E was found to be zero, while the RBM spectral reconstruction was insensitive to variations of the electron-phonon matrix elements. On the other hand, incorpration of a non-zero Delta E value and M(ph) values corrected for diameter and chiral angle dependence through trigonal warping effects was necessary in order to obtain optimum RBM spectral reconstruction for aggregated SWNT samples. (c) 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. C1 Univ Connecticut, Dept Chem, Nanomat Optoelect Lab, Polymer Program,Inst Mat Sci, Storrs, CT 06269 USA. Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Papadimitrakopoulos, F (reprint author), Univ Connecticut, Dept Chem, Nanomat Optoelect Lab, Polymer Program,Inst Mat Sci, Storrs, CT 06269 USA. EM papadim@mail.ims.uconn.edu RI luo, Zhengtang/C-4270-2008 OI luo, Zhengtang/0000-0002-5134-9240 NR 20 TC 11 Z9 11 U1 0 U2 3 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0370-1972 J9 PHYS STATUS SOLIDI B JI Phys. Status Solidi B-Basic Solid State Phys. PD NOV PY 2006 VL 243 IS 13 BP 3155 EP 3160 DI 10.1002/pssb.200669215 PG 6 WC Physics, Condensed Matter SC Physics GA 107QV UT WOS:000242187000042 ER PT J AU Doorn, SK Goupalov, S Satishkumar, BC Shreve, AP Haroz, EH Bachilo, SM Weisman, RB AF Doorn, Stephen K. Goupalov, Serguei Satishkumar, B. C. Shreve, Andrew P. Haroz, Erik H. Bachilo, Sergei M. Weisman, R. Bruce TI Raman studies of electron-phonon coupling in single walled carbon nanotubes SO PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS LA English DT Article; Proceedings Paper CT 20th International Winterschool/Euroconference on Electronic Properties of Novel Materials CY MAR 04-11, 2006 CL Kirchberg, AUSTRIA AB We present the results of Raman studies of the chirality dependence of electron-phonon coupling in carbon nanotubes. We demonstrate that a new parameter resulting from a tight binding derivation of the electron-phonon coupling is useful for analysing experimentally-determined radial breathing mode (RBM) intensities. We also provide a direct comparison of RBM intensities for 6 chiralities obtained with excitation of both the E,, and E,, transitions. Analysis of the observed intensity trends in terms of this new parameter demonstrates that the trend to weaker intensities as one excites at resonance with higher lying transitions results from differences in excited-state decay rates. Finally, we quantitate the magnitude of the matrix elements through modelling of RBM fundamental and overtone Raman excitation profiles using a time-dependent Raman formalism. Results for 5 chiralities show coupling in general to be weak. (c) 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. AF Ioffe Phys Tech Inst, St Petersburg 194021, Russia. Rice Univ, Dept Chem, Houston, TX 77005 USA. RP Doorn, SK (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM skdoorn@lanl.gov OI Weisman, R. Bruce/0000-0001-8546-9980 NR 12 TC 1 Z9 1 U1 0 U2 2 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0370-1972 J9 PHYS STATUS SOLIDI B JI Phys. Status Solidi B-Basic Solid State Phys. PD NOV PY 2006 VL 243 IS 13 BP 3171 EP 3175 DI 10.1002/pssb.200669155 PG 5 WC Physics, Condensed Matter SC Physics GA 107QV UT WOS:000242187000045 ER PT J AU de Lara-Castells, MP Prosmiti, R Delgado-Barrio, G Lopez-Duran, D Villarreal, P Gianturco, FA Jellinek, J AF de Lara-Castells, M. P. Prosmiti, R. Delgado-Barrio, G. Lopez-Duran, D. Villarreal, P. Gianturco, F. A. Jellinek, J. TI Polar di-halogen molecules solvated in bosonic helium clusters: The paradigm of ICl(X) SO PHYSICAL REVIEW A LA English DT Article ID RESOLUTION INFRARED-SPECTRA; POTENTIAL-ENERGY SURFACES; QUANTUM MONTE-CARLO; VIBRATIONAL PREDISSOCIATION; ROTATIONAL-DYNAMICS; HYDROGEN CLUSTERS; SPECTROSCOPY; NANODROPLETS; DROPLETS; HE-4 AB Energies and structures of (4)He(N)-ICl(X) complexes, N <= 30, are determined within the framework of a recently developed Hartree-like approach [Phys. Rev. A 71, 033203 (2005)], in which the He atoms play the role of the electrons and the I and Cl atoms play the role of the nuclei. The potential energy of the system is represented as a sum of the He-ICl triatomic and He-He pair interactions fitted to results of ab initio calculations. The validity of the approach is evaluated through comparisons with the results of "exact" variational calculations performed for the cases of N=1 and 2. The procedure, which furnishes also the wavefunctions, allows for simulation of the infrared spectra of the ICl molecule embedded in the bath of He(N) clusters. Similarly to the case of the "bare" ICl, when the clusters are formed from bosonic He atoms the absorption selection rules lead only to the P and R branches of the spectra (the Q branches are missing). The spectra exhibit a monotonically increasing blueshift, albeit with a decreasing rate, as the cluster size increases. C1 CSIC, Inst Matemat & Fis Fundamental, E-28006 Madrid, Spain. Univ Roma La Sapienza, Dept Chem, I-00185 Rome, Italy. Univ Roma La Sapienza, Ist Nazl Fis Nucl, I-00185 Rome, Italy. Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. RP Villarreal, P (reprint author), CSIC, Inst Matemat & Fis Fundamental, Serrano 123, E-28006 Madrid, Spain. EM p.villarreal@imaff.cfmac.csic.es RI de Lara-Castells, Maria Pilar/C-5846-2014; Villarreal, Pablo/K-2397-2014 OI de Lara-Castells, Maria Pilar/0000-0001-8697-5770; NR 39 TC 23 Z9 23 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1050-2947 J9 PHYS REV A JI Phys. Rev. A PD NOV PY 2006 VL 74 IS 5 AR 053201 DI 10.1103/PhysRevA.74..053201 PG 11 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 110VH UT WOS:000242408900095 ER PT J AU Guzman, JS Wojciechowski, A Stalnaker, JE Tsigutkin, K Yashchuk, VV Budker, D AF Guzman, J. S. Wojciechowski, A. Stalnaker, J. E. Tsigutkin, K. Yashchuk, V. V. Budker, D. TI Nonlinear magneto-optical rotation and Zeeman and hyperfine relaxation of potassium atoms in a paraffin-coated cell SO PHYSICAL REVIEW A LA English DT Article ID MAGNETOMETRY AB Nonlinear magneto-optical Faraday rotation (NMOR) on the potassium D1 and D2 lines was used to study Zeeman relaxation rates in an antirelaxation paraffin-coated 3-cm-diameter potassium vapor cell. Intrinsic Zeeman relaxation rates of gamma(NMOR)/2 pi=2.0(6) Hz were observed. The relatively small hyperfine intervals in potassium lead to significant differences in NMOR in potassium compared to rubidium and cesium. Using laser optical pumping, widths and frequency shifts were also determined for transitions between ground-state hyperfine sublevels of K-39 atoms contained in the same paraffin-coated cell. The intrinsic hyperfine relaxation rate of gamma(hf)(expt)/2 pi=10.6(7) Hz and a shift of -9.1(2) Hz were observed. These results show that adiabatic relaxation gives only a small contribution to the overall hyperfine relaxation in the case of potassium, and the relaxation is dominated by other mechanisms similar to those observed in previous studies with rubidium. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Jagiellonian Univ, Ctr Badan Magnetoopt, Inst Fiz M Smoluchowskiego, PL-30059 Krakow, Poland. Lawrence Berkeley Lab, Adv Light Source Div, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Div Nucl Sci, Berkeley, CA 94720 USA. RP Guzman, JS (reprint author), Natl Inst Stand & Technol, 325 Broadway, Boulder, CO 80305 USA. EM budker@berkeley.edu RI Wojciechowski, Adam/F-8434-2011; Budker, Dmitry/F-7580-2016 OI Wojciechowski, Adam/0000-0003-1805-6718; Budker, Dmitry/0000-0002-7356-4814 NR 20 TC 19 Z9 19 U1 1 U2 9 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1050-2947 J9 PHYS REV A JI Phys. Rev. A PD NOV PY 2006 VL 74 IS 5 AR 053415 DI 10.1103/PhysRevA.74.053415 PG 7 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 110VH UT WOS:000242408900110 ER PT J AU Mack, A Clark, TK Forrey, RC Balakrishnan, N Lee, TG Stancil, PC AF Mack, Akiko Clark, Tricia K. Forrey, Robert C. Balakrishnan, N. Lee, Teck-Ghee Stancil, P. C. TI Cold He+H-2 collisions near dissociation SO PHYSICAL REVIEW A LA English DT Article ID ROTATIONALLY EXCITED CO; VIBRATIONAL-RELAXATION; INELASTIC-COLLISIONS; ATOM-DIATOM; ENERGY-TRANSFER; ULTRACOLD HE-3; MOLECULE; DEACTIVATION; SCATTERING; SURFACE AB Cross sections for He+H-2 collisions are reported for rovibrational states near dissociation at translational energies less than 1000 cm(-1). In contrast to our previously reported cross sections for lower-lying initial rotational states, the excited rotational states near dissociation give rise to shape resonances for energies between 0.001 and 1 cm(-1). The emergence of these resonances with increasing rotational level is opposite to the trend found for He+CO where the shape resonance strength decreases with rotational level for low-lying states. Quasiresonant energy transfer and low energy excitation thresholds are also discussed and it is found that there are 11 rovibrationally excited states that are stable against collision at ultracold temperatures. C1 Penn State Univ, Dept Phys, Reading, PA 19610 USA. Univ Nevada, Dept Chem, Las Vegas, NV 89154 USA. Univ Kentucky, Dept Phys & Astron, Lexington, KY 40506 USA. Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. Univ Georgia, Dept Phys & Astron, Athens, GA 30602 USA. Univ Georgia, Ctr Simulat Phys, Athens, GA 30602 USA. RP Mack, A (reprint author), Penn State Univ, Dept Phys, Berks Campus, Reading, PA 19610 USA. RI Lee, Teck Ghee/D-5037-2012 OI Lee, Teck Ghee/0000-0001-9472-3194 NR 28 TC 17 Z9 17 U1 0 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1050-2947 J9 PHYS REV A JI Phys. Rev. A PD NOV PY 2006 VL 74 IS 5 AR 052718 DI 10.1103/PhysRevA.74.052718 PG 8 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 110VH UT WOS:000242408900094 ER PT J AU Somma, RD Chiaverini, J Berkeland, DJ AF Somma, Rolando D. Chiaverini, John Berkeland, Dana J. TI Lower bounds for the fidelity of entangled-state preparation SO PHYSICAL REVIEW A LA English DT Article ID W-STATE; QUANTUM; SYSTEMS AB Estimating the fidelity of state preparation in multiqubit systems is generally a time-consuming task. Nevertheless, this complexity can be reduced if the desired state can be characterized by certain symmetries measurable with the corresponding experimental setup. In this paper we give simple expressions to estimate the fidelity of multiqubit state preparation for rotational-invariant, stabilizer, and generalized coherent states. We specifically discuss the GHZ-type and W-type states, and obtain efficiently measurable lower bounds for the fidelity. We use these techniques to estimate the fidelity of a quantum simulation of an Ising-like interaction model using two trapped ions. These results are directly applicable to experiments using fidelity-based entanglement witnesses, such as quantum simulations and quantum computation. C1 Los Alamos Natl Lab, Phys Div, Los Alamos, NM 87545 USA. RP Somma, RD (reprint author), Los Alamos Natl Lab, Phys Div, MS D454, Los Alamos, NM 87545 USA. EM somma@lanl.gov NR 33 TC 7 Z9 8 U1 0 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9926 EI 2469-9934 J9 PHYS REV A JI Phys. Rev. A PD NOV PY 2006 VL 74 IS 5 AR 052302 DI 10.1103/PhysRevA.74.052302 PG 8 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 110VH UT WOS:000242408900033 ER PT J AU Tonyushkin, A Sleator, T AF Tonyushkin, Alexei Sleator, Tycho TI Direct imaging of periodic subwavelength patterns generated by optical phase masks SO PHYSICAL REVIEW A LA English DT Article ID ATOM INTERFEROMETER; PRECISION-MEASUREMENT; WAVE INTERFEROMETRY; PHOTON RECOIL; FIELDS; LIGHT; INTERFERENCE; GASES AB We have demonstrated direct imaging of interference fringes of total atomic density with periods lambda/4 and lambda/2 for optical wavelength lambda that have been produced in a de Broglie wave atom interferometer. The imaging was done by means of an "optical mask" technique, which allowed us to observe subwavelength periodic patterns with a resolution of up to lambda/16. In addition, the dependence of the fringe pattern on the recoil phase and pulse area reveals quantum dynamics in the atomic center-of-mass motion. The behavior of the fringe patterns near the interference times distinguishes the effects of phase gratings from those of amplitude gratings. C1 NYU, Dept Phys, New York, NY 10003 USA. RP Tonyushkin, A (reprint author), Los Alamos Natl Lab, CPCS, MS J567, Los Alamos, NM 87545 USA. EM alexeyt@lanl.gov RI Tonyushkin, Alexey/A-4150-2008 OI Tonyushkin, Alexey/0000-0002-0531-715X NR 25 TC 8 Z9 8 U1 0 U2 2 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1050-2947 J9 PHYS REV A JI Phys. Rev. A PD NOV PY 2006 VL 74 IS 5 AR 053615 DI 10.1103/PhysRevA.74.053615 PG 6 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 110VH UT WOS:000242408900130 ER PT J AU Vanroose, W Horner, DA Martin, F Rescigno, TN McCurdy, CW AF Vanroose, W. Horner, D. A. Martin, F. Rescigno, T. N. McCurdy, C. W. TI Double photoionization of aligned molecular hydrogen SO PHYSICAL REVIEW A LA English DT Article ID DIFFERENTIAL CROSS-SECTIONS; PHOTO-DOUBLE-IONIZATION; B-SPLINES; VIBRATIONAL-EXCITATION; ELECTRON-IMPACT; SCATTERING; H-2; APPROXIMATION; DEUTERIUM; BREAKUP AB We present converged, completely ab initio calculations of the triple differential cross sections for double photoionization of aligned H-2 molecules for a photon energy of 75.0 eV. The method of exterior complex scaling, implemented with both the discrete variable representation and B-splines, is used to solve the Schrodinger equation for a correlated continuum wave function corresponding to a single photon having been absorbed by a correlated initial state. Results for a fixed internuclear distance are compared to recent experiments and show that integration over experimental angular and energy resolutions is necessary to produce good qualitative agreement, but does not eliminate some discrepancies. Limitations of current experimental resolution are shown to sometimes obscure interesting details of the cross section. C1 Katholieke Univ Leuven, Dept Computerwetenschappen, B-3001 Heverlee, Belgium. Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Univ Autonoma Madrid, Dept Quim, E-28049 Madrid, Spain. Univ Calif Davis, Dept Appl Sci, Davis, CA 95616 USA. Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. RP Vanroose, W (reprint author), Katholieke Univ Leuven, Dept Computerwetenschappen, B-3001 Heverlee, Belgium. RI Martin, Fernando/C-3972-2014; Vanroose, Wim/J-4292-2013 OI Martin, Fernando/0000-0002-7529-925X; Vanroose, Wim/0000-0001-8349-1391 NR 43 TC 63 Z9 63 U1 0 U2 5 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1050-2947 J9 PHYS REV A JI Phys. Rev. A PD NOV PY 2006 VL 74 IS 5 AR 052702 DI 10.1103/PhysRevA.74.052702 PG 19 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 110VH UT WOS:000242408900078 ER PT J AU Wang, JG He, B Ning, Y Liu, CL Yan, J Stancil, PC Schultz, DR AF Wang, J. G. He, B. Ning, Y. Liu, C. L. Yan, J. Stancil, P. C. Schultz, D. R. TI Charge transfer and ionization in collisions of Si3+ with H from low to high energy SO PHYSICAL REVIEW A LA English DT Article ID ATOMIC-HYDROGEN; X-RAY; ELECTRON-CAPTURE; ULTRAVIOLET EMISSION; COMET HYAKUTAKE; DIVERTOR PLASMA; CROSS-SECTIONS; IONS; HELIUM; IMPACT AB Charge transfer processes due to collisions of ground state Si3+(3s S-1) ions with atomic hydrogen are investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) and classical-trajectory Monte Carlo (CTMC) methods. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained from Herrero [J. Phys. B 29, 5583 (1996)] which were calculated with a full configuration-interaction method. Total and state-selective single-electron capture cross sections are obtained for collision energies from 0.01 eV/u to 1 MeV/u. Total and state-selective rate coefficients are also presented for temperatures from 2x10(3) K to 10(7) K. Comparison with existing data reveals that the total CTMC cross sections are in good agreement with the experimental measurements at the higher considered energies and that previous Landau-Zener calculations underestimate the total rate coefficients by a factor of up to two. The CTMC calculations of target ionization are presented for high energies. C1 Inst Appl Phys & Computat Math, Key Lab Computat Phys, Beijing 100088, Peoples R China. Univ Georgia, Dept Phys & Astron, Athens, GA 30602 USA. Univ Georgia, Ctr Simulat Phys, Athens, GA 30602 USA. Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. RP Wang, JG (reprint author), Inst Appl Phys & Computat Math, Key Lab Computat Phys, POB 8009, Beijing 100088, Peoples R China. NR 40 TC 3 Z9 3 U1 1 U2 3 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1050-2947 J9 PHYS REV A JI Phys. Rev. A PD NOV PY 2006 VL 74 IS 5 AR 052709 DI 10.1103/PhysRevA.74.052709 PG 7 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 110VH UT WOS:000242408900085 ER PT J AU Abrikosov, AA AF Abrikosov, Alexei A. TI Percolation theory of the pseudogap state SO PHYSICAL REVIEW B LA English DT Article ID SUPERCONDUCTORS; MODEL AB A concept of the pseudogap state in high-T-c layered cuprates on the basis of percolation theory is proposed. Contrary to the self-consistent BCS critical temperature, which defines T*, the upper boundary of the pseudogap state, the real critical temperature T-c is defined as the percolation threshold, where the infinite cluster appears. This permits the exact formula for T-c to be obtained as a function of doping and its "domelike" shape to be understood. C1 Argonne Natl Lab, Mat Sci Div, Argonne, IL 60439 USA. RP Abrikosov, AA (reprint author), Argonne Natl Lab, Mat Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 11 TC 10 Z9 10 U1 0 U2 2 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD NOV PY 2006 VL 74 IS 18 AR 180505 DI 10.1103/PhysRevB.74.180505 PG 2 WC Physics, Condensed Matter SC Physics GA 110VJ UT WOS:000242409100011 ER PT J AU Aytug, T Paranthaman, M Leonard, KJ Kang, S Martin, PM Heatherly, L Goyal, A Ijaduola, AO Thompson, JR Christen, DK Meng, R Rusakova, I Chu, CW AF Aytug, T. Paranthaman, M. Leonard, K. J. Kang, S. Martin, P. M. Heatherly, L. Goyal, A. Ijaduola, A. O. Thompson, J. R. Christen, D. K. Meng, R. Rusakova, I. Chu, C. W. TI Analysis of flux pinning in YBa2Cu3O7-delta films by nanoparticle-modified substrate surfaces SO PHYSICAL REVIEW B LA English DT Article ID SUPERCONDUCTING THIN-FILMS; CRITICAL-CURRENT DENSITY; COATED CONDUCTORS; COLUMNAR DEFECTS; CRITICAL CURRENTS; FIELD-DEPENDENCE; SELF-ORGANIZATION; ENHANCEMENT; TEMPERATURE; NANODOTS AB Enhanced in-field critical current density J(c) has been achieved in YBa2Cu3O7-delta (YBCO) films grown on single crystal and biaxially textured metal substrate surfaces that were pretreated with second-phase nanoscale MgO and BaZrO3 particles. Nanoparticles were applied using wet chemical solution-based approaches. Results obtained in this study are compared with our previous investigations on surface modified substrates with sputter processed Ir nanoparticles. Cross-sectional TEM analysis and details of the field-orientation dependence of J(c) are found to be similar for both sputtered and solution processed nanoparticle species. Present results show a more uniform dependence of J(c) over all orientations of magnetic field, along with improved irreversibility behavior. Irrespective of the decoration technique, scaling behavior of the normalized volume pinning force density, F-p, demonstrates the similarity of pinning mechanisms for these YBCO films deposited on artificially modified substrates. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Univ Houston, Texas Ctr Supercond, Houston, TX 77204 USA. RP Aytug, T (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM aytugt@ornl.gov RI Paranthaman, Mariappan/N-3866-2015 OI Paranthaman, Mariappan/0000-0003-3009-8531 NR 49 TC 43 Z9 43 U1 0 U2 14 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD NOV PY 2006 VL 74 IS 18 AR 184505 DI 10.1103/PhysRevB.74.184505 PG 8 WC Physics, Condensed Matter SC Physics GA 110VJ UT WOS:000242409100086 ER PT J AU Belesi, M Borsa, F Powell, AK AF Belesi, M. Borsa, F. Powell, A. K. TI Evidence for spin-wave excitations in the long-range magnetically ordered state of a Fe-19 molecular crystal from proton NMR SO PHYSICAL REVIEW B LA English DT Article ID GROUND-STATE; RELAXATION; MAGNETIZATION; HYSTERESIS; CLUSTER AB We present an investigation of the [Fe-19(metheidi)(10)(OH)(14)(O)(6)(H2O)(12)]NO3 center dot 24H(2)O (henceforth Fe-19) high spin magnetic molecular cluster, based on proton NMR measurements obtained in the low temperature regime 0.4-10 K. The onset of a local static field (in the NMR time scale) is observed below about 1 K both in zero external field and with an applied field. In order to discriminate between single molecule spin freezing and the onset of long-range intermolecular magnetic order, as inferred from specific heat measurements [M. Affronte , Phys. Rev. B 66, 064408 (2002)], proton spin-lattice relaxation measurements were performed. For applied fields larger than 0.1 T, the spin-lattice relaxation is driven by the fluctuations of the single molecule magnetization, consistent with a single molecule frozen state. On the other hand, at zero external field, the relaxation rate becomes much faster and it displays, below 1 K, a nearly power law T dependence, characteristic of nuclear relaxation driven by magnons as expected in the presence of an antiferromagnetic long-range ordered phase. The results are discussed in terms of nuclear relaxation due to Raman two-magnon and three-magnon processes. We find good agreement with the theory for an intermolecular superexchange interaction J approximate to 1 mK, while some ambiguity remains about the size of the gap in the spin-wave spectrum. C1 Iowa State Univ Sci & Technol, Ames Lab, US DOE, Ames, IA 50011 USA. Iowa State Univ Sci & Technol, Dept Phys & Astron, Ames, IA 50011 USA. Univ Pavia, Dipartimento Fis A Volta, I-27100 Pavia, Italy. Univ Pavia, Unit CNISM, I-27100 Pavia, Italy. Univ Karlsruhe, Inst Inorgan Chem, D-76131 Karlsruhe, Germany. RP Belesi, M (reprint author), Iowa State Univ Sci & Technol, Ames Lab, US DOE, Ames, IA 50011 USA. RI Belesi, Maria Eleni/A-5717-2009; Malik, Sharali/F-7450-2010; Powell, Annie/B-8665-2012 OI Powell, Annie/0000-0003-3944-7427 NR 25 TC 10 Z9 10 U1 3 U2 8 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD NOV PY 2006 VL 74 IS 18 AR 184408 DI 10.1103/PhysRevB.74.184408 PG 6 WC Physics, Condensed Matter SC Physics GA 110VJ UT WOS:000242409100054 ER PT J AU Chapon, LC Radaelli, PG Zheng, H Mitchell, JF AF Chapon, L. C. Radaelli, P. G. Zheng, H. Mitchell, J. F. TI Competing magnetic interactions in the extended Kagome system YBaCo(4)O(7) SO PHYSICAL REVIEW B LA English DT Article ID ANTIFERROMAGNET; DIFFRACTION AB YBaCo(4)O(7) belongs to a new class of geometrically frustrated magnets like the pyrochlores, in which Co spins occupy corners of tetrahedra. The structure can be viewed as an alternating stacking of Kagome and triangular layers. Exactly half of the triangular units of the Kagome plane are capped by Co ions to form columns running perpendicular to the Kagome sheets. Neutron powder diffraction reveals a broad temperature range of diffuse magnetic scattering, followed by long-range magnetic ordering below 110 K. A unique low-temperature magnetic structure simultaneously satisfies an S=0 arrangement in the uncapped triangular units and antiferromagnetic coupling along the columns. A spin reorientation above 30 K tracks the relative strengths of the in-plane and out-of-plane interactions. C1 Rutherford Appleton Lab, CCLRC, ISIS Facil, Didcot OX11 0QX, Oxon, England. UCL, Dept Phys & Astron, London WC1E 6BT, England. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Chapon, LC (reprint author), Rutherford Appleton Lab, CCLRC, ISIS Facil, Didcot OX11 0QX, Oxon, England. RI Radaelli, Paolo/C-2952-2011 OI Radaelli, Paolo/0000-0002-6717-035X NR 17 TC 91 Z9 91 U1 2 U2 19 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD NOV PY 2006 VL 74 IS 17 AR 172401 DI 10.1103/PhysRevB.74.172401 PG 4 WC Physics, Condensed Matter SC Physics GA 110VI UT WOS:000242409000015 ER PT J AU Chen, J Ferrando, V Orgiani, P Pogrebnyakov, AV Wilke, RHT Betts, JB Mielke, CH Redwing, JM Xi, XX Li, Q AF Chen, J. Ferrando, V. Orgiani, P. Pogrebnyakov, A. V. Wilke, R. H. T. Betts, J. B. Mielke, C. H. Redwing, J. M. Xi, X. X. Li, Qi TI Enhancement of flux pinning and high-field critical current density in carbon-alloyed MgB2 thin films SO PHYSICAL REVIEW B LA English DT Article ID CHEMICAL VAPOR-DEPOSITION; IRREVERSIBILITY FIELD; SUPERCONDUCTING PROPERTIES; SUBSTITUTED MGB2; BULK MGB2; MECHANISMS; JC AB We have studied flux pinning and critical current density in carbon-alloyed MgB2 thin films prepared by hybrid physical-chemical vapor deposition. We found that carbon alloying significantly enhances flux pinning. The thermal activation energy of vortices U(H) and critical current density J(c)(H) are much higher in carbon-alloyed films than in pure MgB2 films at high fields. From the scaling behavior of the reduced pinning force with reduced field, we found that the dominant pinning mechanism changes from the grain boundary pinning in pure MgB2 films to normal point pinning at low carbon content and back to grain boundary pinning at higher carbon contents for H perpendicular to ab. No dominant pinning mechanism exists when H parallel to ab. C1 Penn State Univ, Dept Phys, University Pk, PA 16802 USA. Univ Genoa, INFM, LAMIA, I-16146 Genoa, Italy. INFM, CNR, SuperMat, I-84081 Baronissi, SA, Italy. Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. Los Alamos Natl Lab, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA. RP Li, Q (reprint author), Penn State Univ, Dept Phys, University Pk, PA 16802 USA. EM qil1@psu.edu RI Orgiani, Pasquale/E-7146-2013 OI Orgiani, Pasquale/0000-0002-1082-9651 NR 38 TC 34 Z9 35 U1 1 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD NOV PY 2006 VL 74 IS 17 AR 174511 DI 10.1103/PhysRevB.74.174511 PG 6 WC Physics, Condensed Matter SC Physics GA 110VI UT WOS:000242409000117 ER PT J AU Das, S Ma, X Zong, X Niazi, A Johnston, DC AF Das, S. Ma, X. Zong, X. Niazi, A. Johnston, D. C. TI Phase relations in the Li2O-V2O3-V2O5 system at 700 degrees C: Correlations with magnetic-defect concentration in heavy fermion LiV2O4 SO PHYSICAL REVIEW B LA English DT Article ID TRANSITION-METAL OXIDE; (V1-XTIX)(2)O-3; SUSCEPTIBILITY; GROWTH; LIVO2 AB The phase relations in the Li2O-V2O3-V2O5 ternary system at 700 degrees C for compositions in equilibrium with LiV2O4 are reported. This study clarified the synthesis conditions under which low and high magnetic defect concentrations can be obtained within the spinel structure of LiV2O4. We confirmed that the LiV2O4 phase can be obtained containing low (0.006 mol %) to high (0.83 mol %) magnetic defect concentrations n(defect) and with consistently high magnetic defect spin S values between 3 and 6.5. The high n(defect) values were obtained in the LiV2O4 phase in equilibrium with V2O3, Li3VO4, or LiVO2 and the low values in the LiV2O4 phase in equilibrium with V3O5. A model is suggested to explain this correlation. C1 Iowa State Univ Sci & Technol, Ames Lab, Ames, IA 50011 USA. Iowa State Univ Sci & Technol, Dept Phys & Astron, Ames, IA 50011 USA. RP Das, S (reprint author), Univ Maryland, Inst Phys Sci & Technol, Chem Phys Program, College Pk, MD 20742 USA. RI Ma, Xiaofei/B-3569-2011; Zong, Xiaopeng/F-1529-2011 NR 31 TC 5 Z9 5 U1 3 U2 15 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD NOV PY 2006 VL 74 IS 18 AR 184417 DI 10.1103/PhysRevB.74.184417 PG 6 WC Physics, Condensed Matter SC Physics GA 110VJ UT WOS:000242409100063 ER PT J AU dela Cruz, CR Lorenz, B Sun, YY Chu, CW Park, S Cheong, SW AF dela Cruz, C. R. Lorenz, B. Sun, Y. Y. Chu, C. W. Park, S. Cheong, S. -W. TI Magnetoelastic effects and the magnetic phase diagram of multiferroic DyMn2O5 SO PHYSICAL REVIEW B LA English DT Article AB The magnetoelastic coupling in multiferroic DyMn2O5 is investigated by magnetostriction measurements along the three crystallographic orientations. Strong lattice anomalies as a function of the magnetic field are detected at the low temperature magnetic and ferroelectric phase transitions. The sign and magnitude of the magnetostrictive coefficient as well as the lattice anomalies at the transitions are correlated with the Dy moment order and with the sharp changes of the dielectric constant and the ferroelectric polarization. With the magnetic field applied along the c axis a high-field phase has been detected the magnetic structure of which has yet to be explored. C1 Univ Houston, Dept Phys, Houston, TX 77204 USA. Univ Houston, TCSUH, Houston, TX 77204 USA. Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Hong Kong Univ Sci & Technol, Hong Kong, Hong Kong, Peoples R China. Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. Rutgers State Univ, Rutgers Ctr Emergent Mat, Piscataway, NJ 08854 USA. RP dela Cruz, CR (reprint author), Univ Houston, Dept Phys, Houston, TX 77204 USA. RI dela Cruz, Clarina/C-2747-2013 OI dela Cruz, Clarina/0000-0003-4233-2145 NR 9 TC 24 Z9 24 U1 0 U2 8 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD NOV PY 2006 VL 74 IS 18 AR 180402 DI 10.1103/PhysRevB.74.180402 PG 4 WC Physics, Condensed Matter SC Physics GA 110VJ UT WOS:000242409100004 ER PT J AU Demmel, F Pasqualini, D Morkel, C AF Demmel, F. Pasqualini, D. Morkel, C. TI Inelastic collective dynamics of liquid rubidium with increasing temperature by neutron scattering studies SO PHYSICAL REVIEW B LA English DT Article ID MONATOMIC LIQUIDS; ALKALI-METALS; DENSITY-FLUCTUATIONS; MICROSCOPIC DYNAMICS; MELTING-POINT; DEPENDENCE; LITHIUM; SODIUM; SPECTROMETER; MOTION AB Although the collective dynamics of liquid alkali metals are rather well understood near the melting point, there is not much research on these dynamics at temperatures higher than the melting temperature. We carried out a set of neutron scattering experiments on liquid rubidium, an alkali metal, to study the effects of temperature on the collective dynamics. In particular, we determined the dispersion relations at different temperatures from the current correlation spectra functions and from the evolution in the momentum transfer, Q, of the longitudinal phase velocity. We also performed a set of molecular dynamics simulations for each temperature sampled in the experimental data. These numerical results confirm the neutron scattering findings. The most striking feature is a frequency change at a momentum transfer of about Q approximate to 0.45 A(-1) with rising temperature. The amount of change exceeds predictions from generalized hydrodynamics based on global density changes. The frequency softening with increasing temperature might be related to local structural changes on length scales of this momentum transfer. C1 Rutherford Appleton Lab, ISIS Facil, Didcot OX11 0QX, Oxon, England. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Tech Univ Munich, D-85748 Garching, Germany. RP Demmel, F (reprint author), Rutherford Appleton Lab, ISIS Facil, Didcot OX11 0QX, Oxon, England. NR 38 TC 8 Z9 9 U1 1 U2 6 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD NOV PY 2006 VL 74 IS 18 AR 184207 DI 10.1103/PhysRevB.74.184207 PG 8 WC Physics, Condensed Matter SC Physics GA 110VJ UT WOS:000242409100036 ER PT J AU Fu, CL Krcmar, M AF Fu, C. L. Krcmar, Maja TI First-principles study of the structural, defect, and mechanical properties of B2FeCo alloys SO PHYSICAL REVIEW B LA English DT Article ID MAGNETIC FECO ALLOYS; PLANE-WAVE METHOD; ELECTRONIC-STRUCTURE; ALUMINIDES; FEAL AB B2 FeCo has the highest saturation magnetization of any material, but has zero room temperature ductility in the ordered state that somewhat increases in the disordered state. Brittleness of FeCo has long been a puzzle given its high-symmetry B2 structure, 1/2 < 111 >{110} slip, and low ordering temperature-all features of intrinsically ductile intermetallics. Employing first-principles calculations and statistical mechanics, we study the structural stability, point defects and order-disorder transition of B2 FeCo, and suggest a mechanism potentially leading to its intrinsic brittleness. We find that B2 FeCo is marginally stable, weakly ordered with a high density of antisite defects, and low anti-phase boundary energies for < 111 > slip on {110} and {112} planes. Most importantly, this system is very sensitive to the change in local atomic environment: structural instability and transformation into low-symmetry L1(0) structure or sheared L1(0) structure can be caused by reduced dimensionality or applied shear stress, respectively. We suggest that the internal stress (e.g., near the dislocation cores) may be closely connected with the B2 FeCo intrinsic brittleness, since it is likely to induce local B2 -> L1(0) structural transformations. C1 Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. Grand Valley State Univ, Dept Phys, Allendale, MI 49401 USA. RP Fu, CL (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, POB 2008, Oak Ridge, TN 37831 USA. NR 19 TC 6 Z9 6 U1 4 U2 10 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD NOV PY 2006 VL 74 IS 17 AR 174108 DI 10.1103/PhysRevB.74.174108 PG 8 WC Physics, Condensed Matter SC Physics GA 110VI UT WOS:000242409000046 ER PT J AU Fu, H Lee, DH AF Fu, Henry Lee, Dung-Hai TI Dichotomy between the nodal and antinodal excitations in high-temperature superconductors SO PHYSICAL REVIEW B LA English DT Article ID DOPING DEPENDENCE; SPIN CORRELATIONS; QUASI-PARTICLES; SR2CUO2CL2; RVB AB Angle-resolved photoemission data on optimally doped and underdoped high-temperature superconductors reveal a dichotomy between the nodal and antinodal electronic excitations. We propose an explanation of this unusual phenomenon by employing the coupling between the quasiparticle and the commensurate and incommensurate magnetic excitations. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Fu, H (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RI Fu, Henry/F-2861-2014 NR 19 TC 3 Z9 3 U1 0 U2 2 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD NOV PY 2006 VL 74 IS 17 AR 174513 DI 10.1103/PhysRevB.74.174513 PG 5 WC Physics, Condensed Matter SC Physics GA 110VI UT WOS:000242409000119 ER PT J AU Hawreliak, J Colvin, JD Eggert, JH Kalantar, DH Lorenzana, HE Stolken, JS Davies, HM Germann, TC Holian, BL Kadau, K Lomdahl, PS Higginbotham, A Rosolankova, K Sheppard, J Wark, JS AF Hawreliak, J. Colvin, J. D. Eggert, J. H. Kalantar, D. H. Lorenzana, H. E. Stolken, J. S. Davies, H. M. Germann, T. C. Holian, B. L. Kadau, K. Lomdahl, P. S. Higginbotham, A. Rosolankova, K. Sheppard, J. Wark, J. S. TI Analysis of the x-ray diffraction signal for the alpha-epsilon transition in shock-compressed iron: Simulation and experiment SO PHYSICAL REVIEW B LA English DT Article ID MOLECULAR-DYNAMICS SIMULATIONS; EARTH-CORE CONDITIONS; PHASE-TRANSITION; HIGH-PRESSURE; CRYSTAL-STRUCTURE; TEMPERATURES; POLYMORPHISM; HUGONIOT; WAVES; LASER AB Recent published work has shown that the phase change of shock-compressed iron along the [001] direction does transform to the epsilon [hexagonal close-packed (hcp)] phase similar to the case for static measurements. This article provides an in-depth analysis of the experiment and nonequilibrium molecular dynamics simulations, using x-ray diffraction in both cases to study the crystal structure upon transition. Both simulation and experiment are consistent with a compression and shuffle mechanism responsible for the phase change from body-centered cubic to hcp. Also both show a polycrystalline structure upon the phase transition, due to the four degenerate directions in which the phase change can occur. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. AWE Aldermaston, Reading, Berks, England. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Oxford, Clarendon Lab, Dept Phys, Oxford OX1 3PU, England. RP Hawreliak, J (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM hawreliak1@llnl.gov RI Higginbotham, Andrew/F-7910-2011; OI Germann, Timothy/0000-0002-6813-238X NR 38 TC 59 Z9 65 U1 2 U2 23 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD NOV PY 2006 VL 74 IS 18 AR 184107 DI 10.1103/PhysRevB.74.184107 PG 16 WC Physics, Condensed Matter SC Physics GA 110VJ UT WOS:000242409100018 ER PT J AU Hill, JM Dabrowski, B Mitchell, JF Jorgensen, JD AF Hill, J. M. Dabrowski, B. Mitchell, J. F. Jorgensen, J. D. TI Local defect structure of Sr3Co2Ox (5.64 <= x <= 6.60): Evolution of crystallographic and magnetic states SO PHYSICAL REVIEW B LA English DT Article ID BOND-VALENCE PARAMETERS; SUPERCONDUCTIVITY; TEMPERATURE; COBALTITE; BEHAVIOR; SOLIDS; SYSTEM; N=2 AB We have extended the structural and magnetic phase diagrams of the bilayer Ruddlesden-Popper phase Sr3Co2Ox beyond previously reported limits of x approximate to 6.1 to x=6.60. The room temperature crystal structure for the x=6.60 material is orthorhombic with oxygen vacancies located in the apical position that links the two nominally CoO2 layers in the perovskite block. An antiferromagnetic ground state is converted to ferromagnetic by moderate magnetic fields and high-temperature magnetic susceptibility data indicate short-range ferromagnetic order. We have also studied the oxygen defect structure of Sr3Co2Ox in the range 5.64 <= x <= 5.80. Oxygen vacancies are present in both the in-plane sites, as well as the linking apical site. Critically, this linking site is displaced significantly along z from its ideal position, creating a particularly short Co-O bond. Using a combination of neutron powder diffraction (NPD) data and crystal-chemical considerations, we provide a model of the local Co ion environments. Additionally, low-temperature NPD and magnetization data show that the magnetic ground state of these oxygen-deficient materials is a complex antiferromagnet, with considerable sensitivity to precise oxygen content. C1 Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. No Illinois Univ, Dept Phys, De Kalb, IL 60115 USA. RP Hill, JM (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM jmhill@anl.gov NR 24 TC 11 Z9 11 U1 0 U2 6 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD NOV PY 2006 VL 74 IS 17 AR 174417 DI 10.1103/PhysRevB.74.174417 PG 9 WC Physics, Condensed Matter SC Physics GA 110VI UT WOS:000242409000088 ER PT J AU Hu, RW Mitrovic, VF Petrovic, C AF Hu, Rongwei Mitrovic, V. F. Petrovic, C. TI Anisotropy in the magnetic and transport properties of Fe1-xCoxSb2 SO PHYSICAL REVIEW B LA English DT Article ID FERROMAGNETIC-METAL TRANSITION; KONDO INSULATOR; FESI; SEMICONDUCTOR; MARCASITE AB Anisotropic magnetic and electronic transport measurements were carried out on large single crystals of Fe1-xCoxSb2 (0 <= x <= 1). The semiconducting state of FeSb2 evolves into metallic and weakly ferromagnetic by substitution of Fe with Co for x < 0.5. Further doping induces structural transformation from orthorhombic Pnnm structure of FeSb2 to monoclinic P21/c structure of CoSb2, where semiconducting and diamagnetic ground state is restored again. Large magnetoresistance and anisotropy in electronic transport were observed. C1 Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. Brown Univ, Dept Phys, Providence, RI 02912 USA. RP Hu, RW (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RI Petrovic, Cedomir/A-8789-2009; Hu, Rongwei/E-7128-2012 OI Petrovic, Cedomir/0000-0001-6063-1881; NR 20 TC 32 Z9 32 U1 3 U2 19 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD NOV PY 2006 VL 74 IS 19 AR 195130 DI 10.1103/PhysRevB.74.195130 PG 6 WC Physics, Condensed Matter SC Physics GA 110VK UT WOS:000242409200067 ER PT J AU Hynninen, T Ganchenkova, M Raebiger, H von Boehm, J AF Hynninen, Teemu Ganchenkova, Maria Raebiger, Hannes von Boehm, Juhani TI Ferromagnetism and its evolution during long-term annealing in (Ga,Mn)As SO PHYSICAL REVIEW B LA English DT Article ID CURIE-TEMPERATURE; SEMICONDUCTORS; GA1-XMNXAS; MN; SYSTEMS AB A combined first-principles total energy Monte Carlo method is used to study the Curie temperature T-C and its evolution in (Ga,Mn)As. The inter- and intra-cluster magnetic interactions are treated separately in a modified Heisenberg Hamiltonian. We find for random Mn distributions (mimicking as-grown samples) a T-C maximum at the Mn concentration of 6%. During annealing we show that a slow clustering process of substitutional Mn atoms takes place and reduces T-C. Our calculated temporal evolution of T-C during annealing agrees closely with experiment. C1 Helsinki Univ Technol, COMP Lab Phys, Helsinki 02015, Finland. RP Hynninen, T (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. RI Hynninen, Teemu/E-3615-2012; Raebiger, Hannes/D-1881-2013 OI Hynninen, Teemu/0000-0003-2592-9302; Raebiger, Hannes/0000-0003-3969-9165 NR 45 TC 6 Z9 6 U1 0 U2 0 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD NOV PY 2006 VL 74 IS 19 AR 195337 DI 10.1103/PhysRevB.74.195337 PG 5 WC Physics, Condensed Matter SC Physics GA 110VK UT WOS:000242409200113 ER PT J AU Irving, DL Sinnott, SB Wood, RL AF Irving, Douglas L. Sinnott, Susan B. Wood, Richard L. TI Relative stabilities of Ag multilayers on GaAs and GaSb determined from ab initio calculations SO PHYSICAL REVIEW B LA English DT Article ID LOW-TEMPERATURE GROWTH; THIN METAL-FILMS; EPITAXIAL-GROWTH; ELECTRON-GAS; GAAS(110); HEIGHT; PB/SI(111)-(7X7); OVERLAYERS; ISLANDS; UNIFORM AB Experimental studies have shown that flat metallic overlayers can be formed on semiconducting substrates by use of a two-step deposition process in systems traditionally known to be nonwetting. Specifically, atomically smooth monolayers are formed on semiconducting substrates when the equivalence of a critical thickness of metal is deposited at low temperatures and subsequently annealed, which is in contrast to the three-dimensional islands that form in room temperature growth. Here, ab initio density functional theory calculations are used to study the energy associated with adding new layers of Ag to the Ag/GaAs and the Ag/GaSb systems. The results predict a shift in the critical thickness for Ag/GaAs compared to that of Ag/GaSb, which is in agreement with experimental findings. The role of charge spilling and quantization in the fluctuations of the adhesion energy is also explored for these systems. It is found that charge spilling saturates for a coverage of three monolyers and greater. Beyond this point, the main contribution to adhesion energy fluctuation is attributed to structural changes due to the strain induced by the presence of the interface. C1 Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA. Oak Ridge Natl Lab, Div Solid State, Oak Ridge, TN 37831 USA. RP Irving, DL (reprint author), Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA. EM sinnott@mse.ufl.edu RI Irving, Douglas/A-1247-2010; Sinnott, Susan/P-8523-2014 OI Sinnott, Susan/0000-0002-3598-0403 NR 49 TC 1 Z9 1 U1 1 U2 5 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD NOV PY 2006 VL 74 IS 19 AR 195403 DI 10.1103/PhysRevB.195403 PG 7 WC Physics, Condensed Matter SC Physics GA 110VK UT WOS:000242409200121 ER PT J AU Jackson, DD Jeffries, JR Qiu, W Griffith, JD McCall, S Aracne, C Fluss, M Maple, MB Weir, ST Vohra, YK AF Jackson, D. D. Jeffries, J. R. Qiu, Wei Griffith, Joel D. McCall, S. Aracne, C. Fluss, M. Maple, M. B. Weir, S. T. Vohra, Y. K. TI Structure-dependent ferromagnetism in Au4V studied under high pressure SO PHYSICAL REVIEW B LA English DT Article ID DESIGNER DIAMOND ANVILS; DILUTE MAGNETIC ALLOYS; ELECTRICAL RESISTIVITY; LOW-TEMPERATURE; METAL; GPA; CALIBRATION; CELL AB At ambient pressure, ordered Au4V is metallic and displays ferromagnetism at T-C=45 K. The electrical resistivity has been measured as a function of temperature from 1 K to 300 K and as a function of pressure up to 30 GPa using various high-pressure devices. A kink, which is associated with the reduction of scattering due to the onset of ferromagnetic order, is seen in the electrical resistance as a function of temperature. With applied pressure, this kink is found to broaden and increase in temperature at a rate of approximately 2.7 K/GPa. Above similar to 18 GPa, the broadening of the kink prohibits accurate determination of T-C; however, upon reducing the pressure, no signatures of ferromagnetism were evident in the electrical resistivity. Both energy-dispersive (P <= 61 GPa) and angle-dispersive (P <= 27 GPa) x-ray diffraction measurements at room temperature show a gradual transition from the body-centered-tetragonal phase of Au4V to a disordered face-centered-cubic structure. This transition is irreversible and continuous, and the data have been fit to a Birch-Murnaghan equation of state. In order to investigate the origin of the magnetic interactions in Au4V, we have also measured the electrical resistivity of Au1-xVx alloys and determined their Kondo temperatures T-K for x < 1%. The pressure dependence of T-K for x=0.5% was measured up to 2.8 GPa, for which the Kondo temperature increases at a rate of dT(K)/dP=6.5 K/GPa. Using the volume dependence of the exchange interaction between magnetic vanadium ions, we find that the pressure-induced increase of the Curie temperature in Au4V can be explained by an increase in the exchange interaction parameter and the number of magnetic nearest neighbors. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. Univ Calif San Diego, Inst Pure & Appl Phys Sci, La Jolla, CA 92093 USA. Univ Alabama, Dept Phys, Birmingham, AL 35124 USA. RP Jackson, DD (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RI Weir, Samuel/H-5046-2012; McCall, Scott/G-1733-2014 OI McCall, Scott/0000-0002-7979-4944 NR 29 TC 15 Z9 15 U1 0 U2 8 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD NOV PY 2006 VL 74 IS 17 AR 174401 DI 10.1103/PhysRevB.74.174401 PG 8 WC Physics, Condensed Matter SC Physics GA 110VI UT WOS:000242409000072 ER PT J AU Johnston, DC AF Johnston, D. C. TI Stretched exponential relaxation arising from a continuous sum of exponential decays SO PHYSICAL REVIEW B LA English DT Article ID WILLIAMS-WATTS; DIELECTRIC-RELAXATION; STABLE-DISTRIBUTIONS; LIV2O4; TIMES; LEVY AB Stretched exponential relaxation of a quantity n versus time t according to n=n(0) exp[-(lambda(*)t)(beta)] is ubiquitous in many research fields, where lambda(*) is a characteristic relaxation rate and the stretching exponent beta is in the range 0 0 mainly by the reduced resistivity. C1 Catholic Univ Korea, Dept Phys, Puchon 420743, South Korea. Seoul Natl Univ, CSCMR, Seoul 151742, South Korea. Waseda Univ, Dept Appl Phys, Tokyo 1698555, Japan. Iowa State Univ Sci & Technol, Ames Lab, Ames, IA 50011 USA. POSTECH, Pohang Accelerator Lab, Pohang 790784, South Korea. POSTECH, Dept Phys, Pohang 790784, South Korea. RP Kang, JS (reprint author), Catholic Univ Korea, Dept Phys, Puchon 420743, South Korea. EM kangjs@catholic.ac.kr RI TERASAKI, Ichiro/I-7083-2014 OI TERASAKI, Ichiro/0000-0002-6073-2639 NR 31 TC 13 Z9 14 U1 2 U2 11 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD NOV PY 2006 VL 74 IS 20 AR 205116 DI 10.1103/PhysRevB.74.205116 PG 7 WC Physics, Condensed Matter SC Physics GA 110VM UT WOS:000242409400026 ER PT J AU Kasinathan, D Kunes, J Koepernik, K Diaconu, CV Martin, RL Prodan, ID Scuseria, GE Spaldin, N Petit, L Schulthess, TC Pickett, WE AF Kasinathan, Deepa Kunes, J. Koepernik, K. Diaconu, Cristian V. Martin, Richard L. Prodan, Ionut D. Scuseria, Gustavo E. Spaldin, Nicola Petit, L. Schulthess, T. C. Pickett, W. E. TI Mott transition of MnO under pressure: A comparison of correlated band theories SO PHYSICAL REVIEW B LA English DT Article ID DENSITY-FUNCTIONAL APPROXIMATIONS; SELF-INTERACTION CORRECTION; EFFECTIVE-POTENTIAL METHOD; ELECTRONIC-STRUCTURE; METAL MONOXIDES; EXACT EXCHANGE; BULK MODULUS; ENERGY; SYSTEMS; SOLIDS AB The electronic structure, magnetic moment, and volume collapse of MnO under pressure are obtained from four different correlated band theory methods; local density approximation+Hubbard U (LDA+U), pseudopotential self-interaction correction (pseudo-SIC), the hybrid functional (combined local exchange plus Hartree-Fock exchange), and the local spin density SIC (SIC-LSD) method. Each method treats correlation among the five Mn 3d orbitals (per spin), including their hybridization with three O 2p orbitals in the valence bands and their changes with pressure. The focus is on comparison of the methods for rocksalt MnO (neglecting the observed transition to the NiAs structure in the 90-100 GPa range). Each method predicts a first-order volume collapse, but with variation in the predicted volume and critical pressure. Accompanying the volume collapse is a moment collapse, which for all methods is from high-spin to low-spin ((5)/(2)->(1)/(2)), not to nonmagnetic as the simplest scenario would have. The specific manner in which the transition occurs varies considerably among the methods: pseudo-SIC and SIC-LSD give insulator-to-metal, while LDA+U gives insulator-to-insulator and the hybrid method gives an insulator-to-semimetal transition. Projected densities of states above and below the transition are presented for each of the methods and used to analyze the character of each transition. In some cases the rhombohedral symmetry of the antiferromagnetically ordered phase clearly influences the character of the transition. C1 Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. Acad Sci Czech Republic, Inst Phys, Prague 16253 6, Czech Republic. IFW Dresden, D-01171 Dresden, Germany. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Rice Univ, Dept Chem, Houston, TX 77005 USA. Univ Calif Santa Barbara, Mat Res Lab, Santa Barbara, CA 93106 USA. Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA. Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Kasinathan, D (reprint author), Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. RI Petit, Leon/B-5255-2008; Kunes, Jan/B-4484-2008; Spaldin, Nicola/A-1017-2010; Scuseria, Gustavo/F-6508-2011; Kasinathan, Deepa/M-8825-2015; OI Kunes, Jan/0000-0001-9682-7640; Spaldin, Nicola/0000-0003-0709-9499; Kasinathan, Deepa/0000-0002-9063-6867; Petit, Leon/0000-0001-6489-9922 NR 59 TC 54 Z9 54 U1 2 U2 24 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD NOV PY 2006 VL 74 IS 19 AR 195110 DI 10.1103/PhysRevB.74.195110 PG 12 WC Physics, Condensed Matter SC Physics GA 110VK UT WOS:000242409200047 ER PT J AU Kasinathan, D Singh, DJ AF Kasinathan, Deepa Singh, D. J. TI Electronic structure of Cr-doped SrRuO3: Supercell calculations SO PHYSICAL REVIEW B LA English DT Article ID ITINERANT FERROMAGNET SRRUO3; MAGNETIC-PROPERTIES; TRANSPORT-PROPERTIES; DOUBLE EXCHANGE; TRANSITION; SUPERCONDUCTIVITY; PEROVSKITE; SR2RUO4; CARUO3 AB The effects of partial Cr substitution for Ru in SrRuO3 are studied using supercell calculations. We find a strong tendency towards antiparallel alignments of Ru and Cr moments resulting from hybridization between Cr t(2g) orbitals and spin-polarized O states near the Fermi energy. The resulting strong local exchange interaction provides an explanation for the increase in the Curie temperature of SrRuO3 when alloying with Cr. C1 Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. Oak Ridge Natl Lab, Dept Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Kasinathan, D (reprint author), Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. RI Singh, David/I-2416-2012; Kasinathan, Deepa/M-8825-2015 OI Kasinathan, Deepa/0000-0002-9063-6867 NR 44 TC 10 Z9 10 U1 2 U2 13 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD NOV PY 2006 VL 74 IS 19 AR 195106 DI 10.1103/PhysRevB.74.195106 PG 5 WC Physics, Condensed Matter SC Physics GA 110VK UT WOS:000242409200043 ER PT J AU Kirkengen, M Bergli, J Galperin, YM AF Kirkengen, M. Bergli, J. Galperin, Y. M. TI Coherent charge transport through an interface between a superconductor and hopping insulator: Role of barrier properties SO PHYSICAL REVIEW B LA English DT Article ID QUANTUM TRANSPORT; JUNCTION; INAS; CONTACTS; POINT; LAYER AB At low temperatures and voltages tunneling transport through an interface between a superconductor and hopping insulator is dominated by coherent two-electron tunneling between the Cooper-pair condensate and pairs of localized states [Kozub , Phys. Rev. Lett. 96, 107004 (2006)]. By detailed analysis of such transport we show that the interface resistance is extremely sensitive to the properties of the tunneling barriers, as well as to the asymptotic behavior of the localized states. In particular, a dramatic cancellation takes place for hydrogenlike impurities and ideal barriers. However, some disorder can lift the cancellations, restoring the interface transport. We also study the non-Ohmic behavior of the interface resistor and show that it is sensitive to the Coulomb correlation of the occupation probabilities of the involved localized states. It is expected that the non-Ohmic contribution to the I-V curve will experience pronounced mesoscopic (fingerprint) fluctuations. C1 Univ Oslo, Dept Phys, N-0316 Oslo, Norway. Argonne Natl Lab, Ctr Adv Mat & Nanotechnol, Argonne, IL 60439 USA. AF Ioffe Phys Tech Inst, St Petersburg 194021, Russia. RP Kirkengen, M (reprint author), Univ Oslo, Dept Phys, POB 1048, N-0316 Oslo, Norway. RI Galperin, Yuri/A-1851-2008; Bergli, Joakim/A-1707-2008 OI Galperin, Yuri/0000-0001-7281-9902; NR 29 TC 0 Z9 0 U1 0 U2 2 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD NOV PY 2006 VL 74 IS 19 AR 195321 DI 10.1103/PhysRevB.74.195321 PG 10 WC Physics, Condensed Matter SC Physics GA 110VK UT WOS:000242409200097 ER PT J AU Kogan, VG Prozorov, R Bud'ko, SL Canfield, PC Thompson, JR Karpinski, J Zhigadlo, ND Miranovic, P AF Kogan, V. G. Prozorov, R. Bud'ko, S. L. Canfield, P. C. Thompson, J. R. Karpinski, J. Zhigadlo, N. D. Miranovic, P. TI Effect of field-dependent core size on reversible magnetization of high-kappa superconductors SO PHYSICAL REVIEW B LA English DT Article ID VORTEX STATE; TEMPERATURE; GROWTH; ENERGY AB The field dependence of the vortex core size xi(B) is incorporated in the London model, in order to describe reversible magnetization M(B,T) for a number of materials with large Ginzburg-Landau parameter kappa. The dependence xi(B) is directly related to deviations in M(ln B) from linear behavior prescribed by the standard London model. A simple method to extract xi(B) from the magnetization data is proposed. For most materials examined, xi(B) so obtained decreases with increasing field and is in qualitative agreement both with behavior extracted from mu SR and small-angle neutron-scattering data and with that predicted theoretically. C1 Iowa State Univ, Ames Lab, DOE, Ames, IA 50011 USA. Iowa State Univ, Dept Phys, Ames, IA 50011 USA. Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. Univ Tennessee, Dept Phys, Knoxville, TN USA. ETH, Solid State Phys Lab, CH-8093 Zurich, Switzerland. Univ Montenegro, Dept Phys, Podgorica 81000, Montenegro. RP Prozorov, R (reprint author), Iowa State Univ, Ames Lab, DOE, Ames, IA 50011 USA. EM prozorov@ameslab.gov RI Prozorov, Ruslan/A-2487-2008; Canfield, Paul/H-2698-2014 OI Prozorov, Ruslan/0000-0002-8088-6096; NR 30 TC 13 Z9 13 U1 0 U2 5 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD NOV PY 2006 VL 74 IS 18 AR 184521 DI 10.1103/PhysRevB.74.184521 PG 10 WC Physics, Condensed Matter SC Physics GA 110VJ UT WOS:000242409100102 ER PT J AU Korecki, P Tolkiehn, M Novikov, DV Materlik, G Szymonski, M AF Korecki, P. Tolkiehn, M. Novikov, D. V. Materlik, G. Szymonski, M. TI Directional fine structure in absorption of white x rays: A tomographic interpretation SO PHYSICAL REVIEW B LA English DT Article ID PHOTOELECTRON HOLOGRAPHY; DYNAMICAL DIFFRACTION; STANDING WAVES; ATOMIC-RESOLUTION; PERFECT CRYSTALS; ELECTRON YIELD; FLUORESCENCE; REFLECTION; FIELDS; IMAGES AB We discuss directional fine structure in absorption of white x rays for tomographic imaging of crystal structure at the atomic level. The interference between a direct x-ray beam and the secondary waves coherently scattered inside a specimen modifies the total wave field at the position of the absorbing atoms. For a white x-ray beam, the wave field variations cancel out by energy integration for all directions, except for the near forward scattering components, coinciding with the incident beam. Therefore, two-dimensional patterns of the angular-dependent fine structure in absorption of white x rays can be interpreted as real-space projections of atomic structure. In this work, we present a theory describing the directional fine structure in white x-ray absorption and a tomographic approach for crystal structure retrieval developed on its basis. The tomographic algorithm is applied to the experimental x-ray absorption data recorded for GaP crystals. C1 Jagiellonian Univ, M Smoluchowski Inst Phys, PL-30059 Krakow, Poland. DESY, HASYLAB, D-22603 Hamburg, Germany. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. Diamond Light Source Ltd, Didcot OX11 0DE, Oxon, England. RP Korecki, P (reprint author), Jagiellonian Univ, M Smoluchowski Inst Phys, Reymonta 4, PL-30059 Krakow, Poland. EM korecki@if.uj.edu.pl NR 47 TC 9 Z9 9 U1 0 U2 3 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD NOV PY 2006 VL 74 IS 18 AR 184116 DI 10.1103/PhysRevB.74.184116 PG 12 WC Physics, Condensed Matter SC Physics GA 110VJ UT WOS:000242409100027 ER PT J AU Li, JX Wu, CQ Lee, DH AF Li, Jian-Xin Wu, Chang-Qin Lee, Dung-Hai TI Checkerboard charge density wave and pseudogap of high-T-c cuprate SO PHYSICAL REVIEW B LA English DT Article ID HIGH-TEMPERATURE SUPERCONDUCTORS; COPPER-OXIDE SUPERCONDUCTORS; EVOLUTION; CA2-XNAXCUO2CL2; SPECTROSCOPY; MAGNETISM; STATE; LINES; GAP AB We consider the scenario where a four-lattice constant, rotationally symmetric charge density wave (CDW) is present in the underdoped cuprates. We prove a theorem that puts strong constraint on the possible form factor of such a CDW. We demonstrate, within mean-field theory, that a particular form factor within the allowed class describes the angle-resolved photoemission and scan tunneling spectroscopy well. We conjecture that the "large pseudogap" in cuprates is the consequence of this type of charge density wave. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94270 USA. Nanjing Univ, Natl Lab Solid State Microstruct, Nanjing 210093, Peoples R China. Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China. Lawrence Berkeley Lab, Div Sci Mat, Berkeley, CA 94720 USA. RP Li, JX (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94270 USA. RI Wu, Chang-Qin/D-3701-2011 NR 37 TC 55 Z9 55 U1 2 U2 11 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD NOV PY 2006 VL 74 IS 18 AR 184515 DI 10.1103/PhysRevB.74.184515 PG 6 WC Physics, Condensed Matter SC Physics GA 110VJ UT WOS:000242409100096 ER PT J AU Magen, C Ritter, C Morellon, L Algarabel, PA Ibarra, MR Tsokol, AO Gschneidner, KA Pecharsky, VK AF Magen, C. Ritter, C. Morellon, L. Algarabel, P. A. Ibarra, M. R. Tsokol, A. O. Gschneidner, K. A., Jr. Pecharsky, V. K. TI Magnetic-field-induced structural transformation in Er5Si4 SO PHYSICAL REVIEW B LA English DT Article ID NEUTRON POWDER DIFFRACTION; MAGNETOCALORIC MATERIALS; GIANT MAGNETORESISTANCE; PHASE-TRANSITIONS; GD5SI2GE2; GD-5(SI2GE2); COMPOUND; GD-5(SI0.1GE0.9)(4); GD-5(SIXGE1-X)(4); REFRIGERATION AB Magnetization and magnetostriction measurements in pulsed magnetic fields reaching 600 kOe reveal strong magnetoelastic effects in Er5Si4 at low temperature. A clear hysteretic behavior of the magnetization isotherms and sharp first-order-type anomalies of magnetostriction are observed. Neutron powder diffraction experiments carried out in steady magnetic fields ranging from 0 to 50 kOe confirm that both the magnetization and magnetostriction anomalies are associated with a reversible magnetic-field-induced crystallographic transformation at low temperature. The low-temperature crystal structure of Er5Si4 is monoclinic in a zero field but the application of a strong magnetic field (H>80 kOe at T=5 K) induces an orthorhombic phase, which is known as the ground state of numerous other compounds in the extended 5:4 family of materials. The existence of a magnetic-field-induced crystallographic transformation without the change of the magnetic state of the material is an unusual property of magnetic solids, and to our knowledge this is the first time that such an anomaly is observed in the 5:4 intermetallic materials. C1 Univ Zaragoza, Inst Ciencia Mat Aragon, E-50009 Zaragoza, Spain. CSIC, E-50009 Zaragoza, Spain. Inst Max Von Laue Paul Langevin, F-38042 Grenoble, France. Univ Zaragoza, Inst Nanociencia Aragon, E-50009 Zaragoza, Spain. Iowa State Univ, Ames Lab, Mat & Engn Phys Program, Ames, IA 50011 USA. Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. RP Morellon, L (reprint author), Univ Zaragoza, Inst Ciencia Mat Aragon, E-50009 Zaragoza, Spain. EM morellon@unizar.es RI D2B, Instrument/F-1072-2012; Magen, Cesar/A-2825-2013; Algarabel, Pedro/K-8583-2014; Ibarra, Manuel Ricardo/K-1150-2014; OI Algarabel, Pedro/0000-0002-4698-3378; Ibarra, Manuel Ricardo/0000-0003-0681-8260; /0000-0003-3724-508X NR 51 TC 13 Z9 14 U1 2 U2 11 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD NOV PY 2006 VL 74 IS 17 AR 174413 DI 10.1103/PhysRevB.74.174413 PG 8 WC Physics, Condensed Matter SC Physics GA 110VI UT WOS:000242409000084 ER PT J AU Martin, AV Ishizuka, K Kisielowski, C Allen, LJ AF Martin, A. V. Ishizuka, K. Kisielowski, C. Allen, L. J. TI Phase imaging and the evolution of a gold-vacuum interface at atomic resolution SO PHYSICAL REVIEW B LA English DT Article ID TRANSMISSION ELECTRON-MICROSCOPY; PARTICLES; RECONSTRUCTION; RETRIEVAL; SURFACES AB We observe, using phase maps obtained from a focal series of images, the evolution in time of a gold-vacuum interface. What is seen is the reconfiguration and removal of whole columns of gold atoms (typically containing three to nine atoms) at the interface. These structural changes are discussed with reference to the variation in binding energy along the interface. C1 Univ Melbourne, Sch Phys, Melbourne, Vic 3010, Australia. HREM Res Inc, Matsukazedai, Saitama 3550055, Japan. Univ Calif Berkeley, Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. RP Martin, AV (reprint author), Univ Melbourne, Sch Phys, Melbourne, Vic 3010, Australia. OI MARTIN, ANDREW/0000-0003-3704-1829 NR 22 TC 13 Z9 13 U1 0 U2 4 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD NOV PY 2006 VL 74 IS 17 AR 172102 DI 10.1103/PhysRevB.74.172102 PG 4 WC Physics, Condensed Matter SC Physics GA 110VI UT WOS:000242409000002 ER PT J AU Meevasana, W Devereaux, TP Nagaosa, N Shen, ZX Zaanen, J AF Meevasana, W. Devereaux, T. P. Nagaosa, N. Shen, Z. -X. Zaanen, J. TI Calculation of overdamped c-axis charge dynamics and the coupling to polar phonons in cuprate superconductors SO PHYSICAL REVIEW B LA English DT Article ID HIGH-TEMPERATURE SUPERCONDUCTORS; ELECTRON; SCATTERING; INPLANE; MODES AB In our recent paper we presented empirical evidence suggesting that electrons in cuprate superconductors are strongly coupled to unscreened c-axis polar phonons. In the overdoped regime the c axis metallizes and we present here simple theoretical arguments demonstrating that the observed effect of the metallic c-axis screening on the polar electron-phonon coupling is consistent with a strongly overdamped c-axis charge dynamics in the optimally doped system, becoming less dissipative in the overdoped regime. C1 Stanford Univ, Dept Phys Appl Phys, Stanford, CA 94305 USA. Stanford Univ, Stanford Synchrotron Radiat Lab, Stanford, CA 94305 USA. Univ Waterloo, Dept Phys, Waterloo, ON N2L 3G1, Canada. Univ Tokyo, Dept Appl Phys, CREST, Bunkyo Ku, Tokyo 113, Japan. RP Meevasana, W (reprint author), Stanford Univ, Dept Phys Appl Phys, Stanford, CA 94305 USA. EM non@stanford.edu RI Nagaosa, Naoto/G-7057-2012 NR 21 TC 17 Z9 17 U1 0 U2 2 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD NOV PY 2006 VL 74 IS 17 AR 174524 DI 10.1103/PhysRevB.74.174524 PG 6 WC Physics, Condensed Matter SC Physics GA 110VI UT WOS:000242409000130 ER PT J AU Moon, CY Li, JB Wei, SH Lim, ATL Feng, YP AF Moon, Chang-Youn Li, Jingbo Wei, Su-Huai Lim, Adele Tzu-Lin Feng, Yuan Ping TI Ordering induced direct and indirect transitions in semiconductor alloys SO PHYSICAL REVIEW B LA English DT Article ID ELECTRONIC-STRUCTURE; SUPERLATTICES AB Atomic ordering from random alloys results in a peculiar evolution of electronic structures. Utilizing this property, we show theoretically that the directness of a band gap can be manipulated by forming ordered alloys in specific atomic configurations. For example, we show that Ga4NAs3 can have an indirect band gap if it forms the luzonite structure, despite that the constituents GaN and GaAs in the zinc-blende (ZB) structure, and their random alloys, all have direct band gaps. On the other hand, Al2NP can have a direct band gap if it forms the CuPt structure, although the ZB constituents AlN and AlP, and their random alloys, all have indirect band gaps. These direct and indirect transitions are explained in terms of the ordering-induced evolution of the electronic states at high symmetry k points, namely, the emergence of the symmetry-enforced segregating states that are preferentially localized on one of the two sublattices in the ternary alloy, and the level repulsion between different ZB states that are folded into the same symmetry states in the ordered ternary alloy. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. Natl Univ Singapore, Dept Phys, Singapore 119260, Singapore. RP Moon, CY (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. RI Feng, Yuan Ping /A-4507-2012 OI Feng, Yuan Ping /0000-0003-2190-2284 NR 19 TC 5 Z9 5 U1 0 U2 2 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD NOV PY 2006 VL 74 IS 20 AR 205203 DI 10.1103/PhysRevB.74.205203 PG 5 WC Physics, Condensed Matter SC Physics GA 110VM UT WOS:000242409400038 ER PT J AU Narvaez, GA Bester, G Franceschetti, A Zunger, A AF Narvaez, Gustavo A. Bester, Gabriel Franceschetti, Alberto Zunger, Alex TI Excitonic exchange effects on the radiative decay time of monoexcitons and biexcitons in quantum dots SO PHYSICAL REVIEW B LA English DT Article ID PSEUDOPOTENTIAL THEORY; DARK EXCITON; DYNAMICS AB Electron-hole exchange interaction splits the exciton ground state into "dark" and "bright" states. The dynamics of those states depends on the internal relaxation time between bright and dark states (spin-flip time), and on the radiative recombination time of the bright states. On the other hand, the calculated values of these recombination times depend not only on the treatment of correlation effects, but also on the accuracy of the electron and hole wavefunctions. We calculate the radiative decay rates for monoexcitons and biexcitons in (In,As)Ga/GaAs self-assembled and colloidal CdSe quantum dots from atomistic correlated wave functions. We show how the radiative decay time tau(R)(X-0) of the monoexciton depends on the spin-flip relaxation time between bright and dark states. In contrast, a biexciton has no bright-dark splitting, so the decay time of the biexciton tau(R)(XX0) is insensitive to this spin-flip time. This results in ratios tau(R)(X-0)/tau(R)(XX0) of 4 in the case of fast spin flip, and a ratio of 2 in the case of slow spin flip. For (In,Ga)As/GaAs, we compare our results with the model calculation of Wimmer [Phys. Rev. B 73, 165305 (2006)]. When the same spin-flip rates are assumed, our predicted tau(R)(X-0)/tau(R)(XX0) agrees with that of Wimmer , suggesting that our treatment of correlations is adequate to predict the ratio of monoexciton and biexciton radiative lifetimes. Our results agree well with experiment on self-assembled quantum dots when assuming slow spin flip. Conversely, for colloidal dots the agreement with experiment is best for fast spin flip. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Narvaez, GA (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM gnarvaez@eclipsethinfilms.com; alex_zunger@nrel.gov RI Bester, Gabriel/I-4414-2012; Zunger, Alex/A-6733-2013 OI Bester, Gabriel/0000-0003-2304-0817; NR 21 TC 30 Z9 30 U1 0 U2 12 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD NOV PY 2006 VL 74 IS 20 AR 205422 DI 10.1103/PhysRevB.74.205422 PG 6 WC Physics, Condensed Matter SC Physics GA 110VM UT WOS:000242409400102 ER PT J AU Praz, A Mudry, C Hastings, MB AF Praz, Antoine Mudry, Christopher Hastings, M. B. TI Scaling relations in the quasi-two-dimensional Heisenberg antiferromagnet SO PHYSICAL REVIEW B LA English DT Article ID RENORMALIZATION-GROUP APPROACH; LOW-TEMPERATURE BEHAVIOR; SPIN CORRELATIONS; NEEL TEMPERATURE; DYNAMICS; SR2CUO2CL2; SCATTERING; LA2CUO4; MODEL; STATE AB The large-N expansion of the quasi-two-dimensional quantum nonlinear sigma model is used in order to establish experimentally applicable universal scaling relations for the quasi-two-dimensional Heisenberg antiferromagnet. We show that, at N=infinity, the renormalized coordination number introduced by Yasuda [Phys. Rev. Lett. 94, 217201 (2005)] is a universal number in the limit of J(')/J -> 0. Moreover, similar scaling relations proposed by Hastings and Mudry [Phys. Rev. Lett. 96, 027215 (2006)] are derived at N=infinity for the three-dimensional static spin susceptibility at the wave vector (pi,pi,0), as well as for the instantaneous structure factor at the same wave vector. We then use 1/N corrections to study the relation between interplane coupling, correlation length, and critical temperature, and show that the universal scaling relations lead to logarithmic corrections to previous mean-field results. C1 Paul Scherrer Inst, Condensed Matter Theory Grp, CH-5232 Villigen, Switzerland. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Praz, A (reprint author), Paul Scherrer Inst, Condensed Matter Theory Grp, CH-5232 Villigen, Switzerland. RI Mudry, Christopher/M-5587-2014 OI Mudry, Christopher/0000-0003-4074-6758 NR 32 TC 4 Z9 4 U1 0 U2 3 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD NOV PY 2006 VL 74 IS 18 AR 184407 DI 10.1103/PhysRevB.74.184407 PG 15 WC Physics, Condensed Matter SC Physics GA 110VJ UT WOS:000242409100053 ER PT J AU Ribeiro, FJ Tangney, P Louie, SG Cohen, ML AF Ribeiro, Filipe J. Tangney, Paul Louie, Steven G. Cohen, Marvin L. TI Hypothetical hard structures of carbon with cubic symmetry SO PHYSICAL REVIEW B LA English DT Article ID TOTAL-ENERGY; ELECTRON-GAS; DIAMOND; SUPERCONDUCTIVITY; GRAPHITE; PSEUDOPOTENTIALS; TRANSFORMATION; MGB2 AB In this work we performed ab initio pseudopotential, density functional calculations of the structure and electronic properties of two hypothetical carbon structures with cubic symmetry: C-6 bcc, body centered with 12 atoms per cubic unit cell, and C-20 sc, simple cubic with 20 atoms per unit cell. The former is semiconducting with an indirect gap of 2.5 eV-within the local density approximation to the exchange and correlation energy functional-while the latter is metallic. Both have similar zero-pressure densities of about one atom per 6.9 A(3), which is intermediate between graphite and diamond, and similar bulk moduli of about 350 GPa at ambient conditions. Both are metastable with respect to graphite and diamond, and no phase transition is expected in the range of pressures studied. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Ribeiro, FJ (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RI Tangney, Paul/D-1623-2010; OI Ribeiro, Filipe/0000-0003-3843-7702 NR 29 TC 35 Z9 36 U1 0 U2 5 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD NOV PY 2006 VL 74 IS 17 AR 172101 DI 10.1103/PhysRevB.74.172101 PG 4 WC Physics, Condensed Matter SC Physics GA 110VI UT WOS:000242409000001 ER PT J AU Said, AH Sinn, H Alatas, A Burns, CA Price, DL Saboungi, ML Schirmacher, W AF Said, A. H. Sinn, H. Alatas, A. Burns, C. A. Price, D. L. Saboungi, M. L. Schirmacher, W. TI Collective excitations in an early molten transition metal SO PHYSICAL REVIEW B LA English DT Article ID SIMPLE CLASSICAL LIQUIDS; X-RAY-DIFFRACTION; LEVITATION APPARATUS; MICROSCOPIC DYNAMICS; RELAXATION PROCESSES; SUPERCOOLED LIQUIDS; NEUTRON-SCATTERING; POTASSIUM; LITHIUM; POINT AB We report inelastic x-ray scattering measurements of the atomic collective excitations of an early transition metal, namely liquid titanium at T=2020 K. The data show well-defined sound excitations with a low damping constant comparable to the damping observed in liquid alkali metals. Calculations of the spectrum of density fluctuations as a function of the excitation wave number based on a self-consistent mode-coupling approach were carried out. The calculations use only the number density and measured structure factors for the titanium and have no adjustable parameters. A remarkable agreement between the prediction of mode-coupling theory and experimental results was observed. C1 Argonne Natl Lab, Argonne, IL 60439 USA. Western Michigan Univ, Kalamazoo, MI 49008 USA. CNRS, CRMHT, F-45071 Orleans, France. CNRS, CRMD, F-45071 Orleans 2, France. Tech Univ Munich, Phys Dept E13, Munich, Germany. RP Said, AH (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Price, David Long/A-8468-2013; Saboungi, Marie-Louise/C-5920-2013 OI Saboungi, Marie-Louise/0000-0002-0607-4815 NR 33 TC 16 Z9 16 U1 0 U2 2 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD NOV PY 2006 VL 74 IS 17 AR 172202 DI 10.1103/PhysRevB.74.172202 PG 4 WC Physics, Condensed Matter SC Physics GA 110VI UT WOS:000242409000009 ER EF